3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one

C14H19N3O2 — CID 116951093

IUPAC3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2oc(=O)n(C)c2c1)C1CCNC1
InChIInChI=1S/C14H19N3O2/c1-15-13(10-5-6-16-8-10)9-3-4-12-11(7-9)17(2)14(18)19-12/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3
InChIKeyVESKXWVFFCJFKL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds3

About 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one

3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 116951093) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID116951093
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2oc(=O)n(C)c2c1)C1CCNC1
InChIInChI=1S/C14H19N3O2/c1-15-13(10-5-6-16-8-10)9-3-4-12-11(7-9)17(2)14(18)19-12/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3
InChIKeyVESKXWVFFCJFKL-UHFFFAOYSA-N
XLogP1.00
TPSA59.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
CID 116955912
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299129
3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
CID 82500900
ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
CID 116961355
5-[2-hydroxy-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116859488
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299740
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one (CID 116951093) is 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one is CNC(c1ccc2oc(=O)n(C)c2c1)C1CCNC1.
What is the InChIKey of 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is VESKXWVFFCJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-13(10-5-6-16-8-10)9-3-4-12-11(7-9)17(2)14(18)19-12/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one?
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 116951093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).