N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide

C20H25ClN4O4 — CID 17083461

IUPACN-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCNC(=O)c1nc(C2CCCCC2)no1
InChIInChI=1S/C20H25ClN4O4/c1-13-11-15(21)7-8-16(13)28-12-17(26)22-9-10-23-19(27)20-24-18(25-29-20)14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyRWGRCAKOUFULJX-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide

N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083461) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083461
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC NameN-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCNC(=O)c1nc(C2CCCCC2)no1
InChIInChI=1S/C20H25ClN4O4/c1-13-11-15(21)7-8-16(13)28-12-17(26)22-9-10-23-19(27)20-24-18(25-29-20)14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyRWGRCAKOUFULJX-UHFFFAOYSA-N
XLogP3.00
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083439
3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083458
3-cyclohexyl-N-[2-[[2-(2-nitrophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083459
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083877
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
3-cyclohexyl-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083415
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084652
2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 99928923
3-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (CID 17083461) is N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is Cc1cc(Cl)ccc1OCC(=O)NCCNC(=O)c1nc(C2CCCCC2)no1.
What is the InChIKey of N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RWGRCAKOUFULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c1-13-11-15(21)7-8-16(13)28-12-17(26)22-9-10-23-19(27)20-24-18(25-29-20)14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).