6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one

C11H12N2O2 — CID 82491853

IUPAC6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CNC3CC3)cc2o1
InChIInChI=1S/C11H12N2O2/c14-11-13-9-4-1-7(5-10(9)15-11)6-12-8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,13,14)
InChIKeyRTFSPXOSFBEXON-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one

6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 82491853) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID82491853
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CNC3CC3)cc2o1
InChIInChI=1S/C11H12N2O2/c14-11-13-9-4-1-7(5-10(9)15-11)6-12-8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,13,14)
InChIKeyRTFSPXOSFBEXON-UHFFFAOYSA-N
XLogP1.37
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 82262244
6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 82262597
6-[[(4-aminophenyl)methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115212493
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-[4-[4-(3,4-difluorophenyl)butylamino]cyclohexyl]-3H-1,3-benzoxazol-2-one
CID 22669084
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
2-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoic acid
CID 115127990
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanenitrile
CID 115130200
(E)-but-2-ene-2-thiol;6-[4-[3-(4-fluorophenyl)propylamino]cyclohexyl]-3H-1,3-benzoxazol-2-one
CID 142099367
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115135340
6-[methyl-[2-[(4-phenylcyclohexyl)amino]ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 10155738

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 82491853) is 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(CNC3CC3)cc2o1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is RTFSPXOSFBEXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11-13-9-4-1-7(5-10(9)15-11)6-12-8-2-3-8/h1,4-5,8,12H,2-3,6H2,(H,13,14).
What are the key properties of 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82491853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).