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

C16H24N2O2 — CID 62298463

IUPAC3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
SMILESCCCNC(CCC)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C16H24N2O2/c1-4-7-13(17-10-5-2)12-8-9-14-15(11-12)20-16(19)18(14)6-3/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeySVWADZMDALUBIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.46
Rot. Bonds7

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

3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one (PubChem CID 62298463) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
PubChem CID62298463
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
SMILESCCCNC(CCC)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C16H24N2O2/c1-4-7-13(17-10-5-2)12-8-9-14-15(11-12)20-16(19)18(14)6-3/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeySVWADZMDALUBIG-UHFFFAOYSA-N
XLogP3.46
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyclopropyl-1-(propylamino)ethyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300740
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
6-(1-bromohexyl)-3-ethyl-1,3-benzoxazol-2-one
CID 55197474
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
6-(1-bromooctyl)-3-ethyl-1,3-benzoxazol-2-one
CID 63444181
3-ethyl-6-[2-ethyl-1-(methylamino)butyl]-1,3-benzoxazol-2-one
CID 62300737
6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298459
3-ethyl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]-1,3-benzoxazol-2-one
CID 55053835
3-ethyl-6-(2-propylpentanoyl)-1,3-benzoxazol-2-one
CID 82984978
3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62300194
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one (CID 62298463) is 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one is CCCNC(CCC)c1ccc2c(c1)oc(=O)n2CC.
What is the InChIKey of 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one?
The InChIKey is SVWADZMDALUBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-7-13(17-10-5-2)12-8-9-14-15(11-12)20-16(19)18(14)6-3/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one?
3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).