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

C17H26N2O2 — CID 62300946

IUPAC6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2CCC)C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-9-18-16(12(3)4)13-7-8-14-15(11-13)21-17(20)19(14)10-6-2/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyDYNAPCWPVDAGKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.70
Rot. Bonds7

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

6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one (PubChem CID 62300946) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
PubChem CID62300946
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2CCC)C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-9-18-16(12(3)4)13-7-8-14-15(11-13)21-17(20)19(14)10-6-2/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyDYNAPCWPVDAGKM-UHFFFAOYSA-N
XLogP3.70
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62300194
3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62298463
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
6-(1-hydroxy-2-methylsulfonylpropyl)-3-propyl-1,3-benzoxazol-2-one
CID 104521176
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one
CID 62299894
6-(1-bromo-2-methylsulfonylpropyl)-3-propyl-1,3-benzoxazol-2-one
CID 104521568
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one (CID 62300946) is 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one is CCCNC(c1ccc2c(c1)oc(=O)n2CCC)C(C)C.
What is the InChIKey of 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is DYNAPCWPVDAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-9-18-16(12(3)4)13-7-8-14-15(11-13)21-17(20)19(14)10-6-2/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one?
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).