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

C17H24N2O2 — CID 62301111

IUPAC6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2CC)C1CCC1
InChIInChI=1S/C17H24N2O2/c1-3-10-18-16(12-6-5-7-12)13-8-9-14-15(11-13)21-17(20)19(14)4-2/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyBMUUMRSIJFSXQF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds6

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

6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 62301111) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
PubChem CID62301111
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2CC)C1CCC1
InChIInChI=1S/C17H24N2O2/c1-3-10-18-16(12-6-5-7-12)13-8-9-14-15(11-13)21-17(20)19(14)4-2/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyBMUUMRSIJFSXQF-UHFFFAOYSA-N
XLogP3.46
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981
6-[2-cyclopropyl-1-(propylamino)ethyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300740
3-ethyl-6-[1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62298463
3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979
6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 83148970
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
6-[chloro(oxan-4-yl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62907110
6-[bromo(cyclopentyl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63444405
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
6-[chloro-(2-methylcyclopropyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300567

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one (CID 62301111) is 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one is CCCNC(c1ccc2c(c1)oc(=O)n2CC)C1CCC1.
What is the InChIKey of 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is BMUUMRSIJFSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-18-16(12-6-5-7-12)13-8-9-14-15(11-13)21-17(20)19(14)4-2/h8-9,11-12,16,18H,3-7,10H2,1-2H3.
What are the key properties of 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62301111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).