3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one

C16H24N2O2 — CID 62300194

IUPAC3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)CC
InChIInChI=1S/C16H24N2O2/c1-5-9-17-15(11(3)6-2)12-7-8-13-14(10-12)20-16(19)18(13)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeySLACWCFKKDFLFC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds6

About 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one

3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one (PubChem CID 62300194) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
PubChem CID62300194
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)CC
InChIInChI=1S/C16H24N2O2/c1-5-9-17-15(11(3)6-2)12-7-8-13-14(10-12)20-16(19)18(13)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3
InChIKeySLACWCFKKDFLFC-UHFFFAOYSA-N
XLogP3.22
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62298953
6-[2-(hydroxymethyl)-1-(methylamino)butyl]-3-methyl-1,3-benzoxazol-2-one
CID 116959922
6-(1-bromo-2-ethylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 62298969
3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62298463
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-(1-bromo-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62301096
6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116961538
6-(1-aminononyl)-3-methyl-1,3-benzoxazol-2-one
CID 65447465
3-methyl-6-[1-(methylamino)-2-sulfanylethyl]-1,3-benzoxazol-2-one
CID 116830693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one (CID 62300194) is 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one is CCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)CC.
What is the InChIKey of 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The InChIKey is SLACWCFKKDFLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-9-17-15(11(3)6-2)12-7-8-13-14(10-12)20-16(19)18(13)4/h7-8,10-11,15,17H,5-6,9H2,1-4H3.
What are the key properties of 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one?
3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).