6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one

C14H19N3O2 — CID 115210689

IUPAC6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(CCC1CCNC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H19N3O2/c1-17(7-5-10-4-6-15-9-10)11-2-3-12-13(8-11)19-14(18)16-12/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyAFSUONWZTHOJKF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds4

About 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one

6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115210689) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115210689
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(CCC1CCNC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H19N3O2/c1-17(7-5-10-4-6-15-9-10)11-2-3-12-13(8-11)19-14(18)16-12/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyAFSUONWZTHOJKF-UHFFFAOYSA-N
XLogP1.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
CID 117029580
6-[methyl(3-phenylpropyl)amino]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 14500459
6-[methyl-[2-[(4-phenylcyclohexyl)amino]ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 10155738
6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
CID 115244654
6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115149457
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
5-[2-chloroethyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115214763
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708243

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one (CID 115210689) is 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one is CN(CCC1CCNC1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is AFSUONWZTHOJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(7-5-10-4-6-15-9-10)11-2-3-12-13(8-11)19-14(18)16-12/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one?
6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115210689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).