tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate

C18H31N3O4 — CID 125453081

IUPACtert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C18H31N3O4/c1-16(2,3)14-20-13(25-21-14)11-18(23)9-7-12(8-10-18)19-15(22)24-17(4,5)6/h12,23H,7-11H2,1-6H3,(H,19,22)
InChIKeyLDPJKKMTWFMKQK-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate

tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate (PubChem CID 125453081) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate
PubChem CID125453081
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nametert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C18H31N3O4/c1-16(2,3)14-20-13(25-21-14)11-18(23)9-7-12(8-10-18)19-15(22)24-17(4,5)6/h12,23H,7-11H2,1-6H3,(H,19,22)
InChIKeyLDPJKKMTWFMKQK-UHFFFAOYSA-N
XLogP3.11
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate
CID 125452939
tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
CID 125454983
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
trans-(1R,3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 125454487
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
CID 47321486
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103720143
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
CID 38415452
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate (CID 125453081) is tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(O)(Cc2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate?
The InChIKey is LDPJKKMTWFMKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-16(2,3)14-20-13(25-21-14)11-18(23)9-7-12(8-10-18)19-15(22)24-17(4,5)6/h12,23H,7-11H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate has a molecular weight of 353.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 125453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).