[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate

C77H97N7O14 — CID 160661636

IUPAC[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate
SMILESNC1CCC(c2nnc(CO)o2)CC1.NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1.O=C(CC1CCC(c2nnc(COCc3ccccc3)o2)CC1)OCc1ccccc1.O=C(COCc1ccccc1)NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H31NO5.C25H28N2O4.C17H23NO3.C9H15N3O2/c28-24(16-27-25(29)19-31-17-21-7-3-1-4-8-21)23-13-11-20(12-14-23)15-26(30)32-18-22-9-5-2-6-10-22;28-24(30-17-21-9-5-2-6-10-21)15-19-11-13-22(14-12-19)25-27-26-23(31-25)18-29-16-20-7-3-1-4-8-20;18-11-16(19)15-8-6-13(7-9-15)10-17(20)21-12-14-4-2-1-3-5-14;10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-10,20,23H,11-19H2,(H,27,29);1-10,19,22H,11-18H2;1-5,13,15H,6-12,18H2;6-7,13H,1-5,10H2
InChIKeyRLSZWSTXLIWLNL-UHFFFAOYSA-N
MW1344.66 g/mol
LogP12.02
Rot. Bonds28

About [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate

[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate (PubChem CID 160661636) has the molecular formula C77H97N7O14 and a molecular weight of 1344.66 g/mol. Its IUPAC name is [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate.

Molecular Properties

Compound Name[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate
PubChem CID160661636
Molecular FormulaC77H97N7O14
Molecular Weight1344.66 g/mol
Exact Mass1343.71
IUPAC Name[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate
SMILESNC1CCC(c2nnc(CO)o2)CC1.NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1.O=C(CC1CCC(c2nnc(COCc3ccccc3)o2)CC1)OCc1ccccc1.O=C(COCc1ccccc1)NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H31NO5.C25H28N2O4.C17H23NO3.C9H15N3O2/c28-24(16-27-25(29)19-31-17-21-7-3-1-4-8-21)23-13-11-20(12-14-23)15-26(30)32-18-22-9-5-2-6-10-22;28-24(30-17-21-9-5-2-6-10-21)15-19-11-13-22(14-12-19)25-27-26-23(31-25)18-29-16-20-7-3-1-4-8-20;18-11-16(19)15-8-6-13(7-9-15)10-17(20)21-12-14-4-2-1-3-5-14;10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-10,20,23H,11-19H2,(H,27,29);1-10,19,22H,11-18H2;1-5,13,15H,6-12,18H2;6-7,13H,1-5,10H2
InChIKeyRLSZWSTXLIWLNL-UHFFFAOYSA-N
XLogP12.02
TPSA310.71 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.66
LogP ≤ 512.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate with MolForge

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Related Compounds

benzyl 2-[4-[2-[[(2R)-2-phenylmethoxypropanoyl]amino]acetyl]cyclohexyl]acetate
CID 159069113
benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
CID 70913925
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
CID 75372856
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate
CID 123352734

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate?
The IUPAC name of [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate (CID 160661636) is [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate.
What is the SMILES notation for [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate?
The canonical SMILES for [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate is NC1CCC(c2nnc(CO)o2)CC1.NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1.O=C(CC1CCC(c2nnc(COCc3ccccc3)o2)CC1)OCc1ccccc1.O=C(COCc1ccccc1)NCC(=O)C1CCC(CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate?
The InChIKey is RLSZWSTXLIWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5.C25H28N2O4.C17H23NO3.C9H15N3O2/c28-24(16-27-25(29)19-31-17-21-7-3-1-4-8-21)23-13-11-20(12-14-23)15-26(30)32-18-22-9-5-2-6-10-22;28-24(30-17-21-9-5-2-6-10-21)15-19-11-13-22(14-12-19)25-27-26-23(31-25)18-29-16-20-7-3-1-4-8-20;18-11-16(19)15-8-6-13(7-9-15)10-17(20)21-12-14-4-2-1-3-5-14;10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-10,20,23H,11-19H2,(H,27,29);1-10,19,22H,11-18H2;1-5,13,15H,6-12,18H2;6-7,13H,1-5,10H2.
What are the key properties of [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate?
[5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate has a molecular weight of 1344.66 g/mol, XLogP of 12.02, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminocyclohexyl)-1,3,4-oxadiazol-2-yl]methanol;benzyl 2-[4-(2-aminoacetyl)cyclohexyl]acetate;benzyl 2-[4-[2-[(2-phenylmethoxyacetyl)amino]acetyl]cyclohexyl]acetate;benzyl 2-[4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]acetate is sourced from PubChem (CID 160661636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).