3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one

C15H20N2O3 — CID 81329934

IUPAC3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2c(c1)oc(=O)n2C)C1CCC(C)O1
InChIInChI=1S/C15H20N2O3/c1-9-4-7-12(19-9)14(16-2)10-5-6-11-13(8-10)20-15(18)17(11)3/h5-6,8-9,12,14,16H,4,7H2,1-3H3
InChIKeyPPDIJCXADMTJFW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds3

About 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one

3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 81329934) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID81329934
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2c(c1)oc(=O)n2C)C1CCC(C)O1
InChIInChI=1S/C15H20N2O3/c1-9-4-7-12(19-9)14(16-2)10-5-6-11-13(8-10)20-15(18)17(11)3/h5-6,8-9,12,14,16H,4,7H2,1-3H3
InChIKeyPPDIJCXADMTJFW-UHFFFAOYSA-N
XLogP1.96
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 81331275
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979
6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116961538
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981
6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300021
3-methyl-6-[1-(methylamino)-2-sulfanylethyl]-1,3-benzoxazol-2-one
CID 116830693
3-methyl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]-1,3-benzoxazol-2-one
CID 62273831
N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-methyloxolan-2-yl)methanamine
CID 81329816
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one (CID 81329934) is 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one is CNC(c1ccc2c(c1)oc(=O)n2C)C1CCC(C)O1.
What is the InChIKey of 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is PPDIJCXADMTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-7-12(19-9)14(16-2)10-5-6-11-13(8-10)20-15(18)17(11)3/h5-6,8-9,12,14,16H,4,7H2,1-3H3.
What are the key properties of 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 81329934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).