N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C17H21N3O2 — CID 119602891

IUPACN-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)20-14-4-2-3-13(14)9-18/h5-8,10,13-14H,2-4,9,18H2,1H3,(H,20,21)
InChIKeyLADUPGBELFBSJA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 119602891) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID119602891
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)20-14-4-2-3-13(14)9-18/h5-8,10,13-14H,2-4,9,18H2,1H3,(H,20,21)
InChIKeyLADUPGBELFBSJA-UHFFFAOYSA-N
XLogP2.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119603961
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119602924
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 119603536
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119609339
N-[2-(aminomethyl)cyclopentyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119603508
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 119602891) is N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LADUPGBELFBSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)20-14-4-2-3-13(14)9-18/h5-8,10,13-14H,2-4,9,18H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 119602891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).