5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide

C21H27N3O3 — CID 91957229

IUPAC5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3(CN4CCCCC4)CC3)no2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-17-7-5-16(6-8-17)19-13-18(23-27-19)20(25)22-14-21(9-10-21)15-24-11-3-2-4-12-24/h5-8,13H,2-4,9-12,14-15H2,1H3,(H,22,25)
InChIKeyKMLCPGOCMLWGMX-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.35
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91957229) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID91957229
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3(CN4CCCCC4)CC3)no2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-17-7-5-16(6-8-17)19-13-18(23-27-19)20(25)22-14-21(9-10-21)15-24-11-3-2-4-12-24/h5-8,13H,2-4,9-12,14-15H2,1H3,(H,22,25)
InChIKeyKMLCPGOCMLWGMX-UHFFFAOYSA-N
XLogP3.35
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 118780237
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 50754362
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 45132937

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide (CID 91957229) is 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC3(CN4CCCCC4)CC3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KMLCPGOCMLWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-17-7-5-16(6-8-17)19-13-18(23-27-19)20(25)22-14-21(9-10-21)15-24-11-3-2-4-12-24/h5-8,13H,2-4,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91957229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).