5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one

C13H16N2O2 — CID 65044585

IUPAC5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC1CCCC1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-8-3-2-4-10(8)14-9-5-6-12-11(7-9)15-13(16)17-12/h5-8,10,14H,2-4H2,1H3,(H,15,16)
InChIKeyBTKOHGRYPIZQLC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds2

About 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one

5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 65044585) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID65044585
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC1CCCC1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-8-3-2-4-10(8)14-9-5-6-12-11(7-9)15-13(16)17-12/h5-8,10,14H,2-4H2,1H3,(H,15,16)
InChIKeyBTKOHGRYPIZQLC-UHFFFAOYSA-N
XLogP2.72
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329
5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 43741600
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
CID 79458762
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
5-[(1,5-dimethylpyrrolidin-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 81466348
6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 64761439
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119709874
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one (CID 65044585) is 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one is CC1CCCC1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is BTKOHGRYPIZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-2-4-10(8)14-9-5-6-12-11(7-9)15-13(16)17-12/h5-8,10,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one?
5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 65044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).