5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one

C15H13ClN2O2 — CID 43741517

IUPAC5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-9(11-4-2-3-5-12(11)16)17-10-6-7-14-13(8-10)18-15(19)20-14/h2-9,17H,1H3,(H,18,19)
InChIKeyRSNKNROSIDDMJO-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.95
Rot. Bonds3

About 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one

5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741517) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
PubChem CID43741517
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-9(11-4-2-3-5-12(11)16)17-10-6-7-14-13(8-10)18-15(19)20-14/h2-9,17H,1H3,(H,18,19)
InChIKeyRSNKNROSIDDMJO-UHFFFAOYSA-N
XLogP3.95
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741578
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
4-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzonitrile
CID 43741551
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
2-chloro-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019681
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one (CID 43741517) is 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one is CC(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1Cl.
What is the InChIKey of 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is RSNKNROSIDDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-9(11-4-2-3-5-12(11)16)17-10-6-7-14-13(8-10)18-15(19)20-14/h2-9,17H,1H3,(H,18,19).
What are the key properties of 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one?
5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 288.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).