1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide

C16H19N3O2 — CID 119338161

IUPAC1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1-c1ncco1
InChIInChI=1S/C16H19N3O2/c1-11-4-5-12(10-13(11)14-18-8-9-21-14)19-15(20)16(17)6-2-3-7-16/h4-5,8-10H,2-3,6-7,17H2,1H3,(H,19,20)
InChIKeyTUHFDCQPZZWTJZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.86
Rot. Bonds3

About 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119338161) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119338161
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1-c1ncco1
InChIInChI=1S/C16H19N3O2/c1-11-4-5-12(10-13(11)14-18-8-9-21-14)19-15(20)16(17)6-2-3-7-16/h4-5,8-10H,2-3,6-7,17H2,1H3,(H,19,20)
InChIKeyTUHFDCQPZZWTJZ-UHFFFAOYSA-N
XLogP2.86
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide (CID 119338161) is 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCCC2)cc1-c1ncco1.
What is the InChIKey of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is TUHFDCQPZZWTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-5-12(10-13(11)14-18-8-9-21-14)19-15(20)16(17)6-2-3-7-16/h4-5,8-10H,2-3,6-7,17H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119338161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).