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

C21H27N3O2 — CID 119041616

IUPAC5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-2-4-17(5-3-15)14-24-10-8-16(9-11-24)13-22-21(25)19-12-20(26-23-19)18-6-7-18/h2-5,12,16,18H,6-11,13-14H2,1H3,(H,22,25)
InChIKeyJOCMPGSJVCLSEY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds6

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

5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 119041616) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID119041616
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-2-4-17(5-3-15)14-24-10-8-16(9-11-24)13-22-21(25)19-12-20(26-23-19)18-6-7-18/h2-5,12,16,18H,6-11,13-14H2,1H3,(H,22,25)
InChIKeyJOCMPGSJVCLSEY-UHFFFAOYSA-N
XLogP3.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131910543
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
CID 118948589
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 100682683
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943684
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
4-[[4-[[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 169080353
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
5-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353976
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 119041616) is 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CN2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JOCMPGSJVCLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-2-4-17(5-3-15)14-24-10-8-16(9-11-24)13-22-21(25)19-12-20(26-23-19)18-6-7-18/h2-5,12,16,18H,6-11,13-14H2,1H3,(H,22,25).
What are the key properties of 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119041616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).