6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one

C14H18N2O2 — CID 82262244

IUPAC6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCNC3CCCC3)cc2o1
InChIInChI=1S/C14H18N2O2/c17-14-16-12-6-5-10(9-13(12)18-14)7-8-15-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,16,17)
InChIKeyRRWMMEIQUBNFBJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds4

About 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one

6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 82262244) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
PubChem CID82262244
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCNC3CCCC3)cc2o1
InChIInChI=1S/C14H18N2O2/c17-14-16-12-6-5-10(9-13(12)18-14)7-8-15-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,16,17)
InChIKeyRRWMMEIQUBNFBJ-UHFFFAOYSA-N
XLogP2.20
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(cyclopropylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 82491853
5-[2-(pyrrolidin-3-ylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115119055
6-[2-(2-aminoethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115195471
6-[2-(hydrazinylmethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115261171
6-[4-[4-(3,4-difluorophenyl)butylamino]cyclohexyl]-3H-1,3-benzoxazol-2-one
CID 22669084
6-[2-(cyclopropylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 82262597
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110665286
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-(5-aminopentyl)-3H-1,3-benzoxazol-2-one
CID 96672161
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 122164517

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one (CID 82262244) is 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(CCNC3CCCC3)cc2o1.
What is the InChIKey of 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is RRWMMEIQUBNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-16-12-6-5-10(9-13(12)18-14)7-8-15-11-3-1-2-4-11/h5-6,9,11,15H,1-4,7-8H2,(H,16,17).
What are the key properties of 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one?
6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82262244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).