3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide

C14H17N3O3 — CID 119764734

IUPAC3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
SMILESCn1c(=O)oc2cc(NC(=O)C3CCC(N)C3)ccc21
InChIInChI=1S/C14H17N3O3/c1-17-11-5-4-10(7-12(11)20-14(17)19)16-13(18)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyXVIPPQIRBXRWQV-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.20
Rot. Bonds2

About 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide

3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide (PubChem CID 119764734) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
PubChem CID119764734
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
SMILESCn1c(=O)oc2cc(NC(=O)C3CCC(N)C3)ccc21
InChIInChI=1S/C14H17N3O3/c1-17-11-5-4-10(7-12(11)20-14(17)19)16-13(18)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyXVIPPQIRBXRWQV-UHFFFAOYSA-N
XLogP1.20
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide
CID 119801517
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
CID 66030886
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide (CID 119764734) is 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide is Cn1c(=O)oc2cc(NC(=O)C3CCC(N)C3)ccc21.
What is the InChIKey of 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide?
The InChIKey is XVIPPQIRBXRWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-11-5-4-10(7-12(11)20-14(17)19)16-13(18)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide?
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119764734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).