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

C17H24N2O2 — CID 83149805

IUPAC6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)C1CC1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-16(11(2)12-5-6-12)13-7-8-14-15(10-13)21-17(20)19(14)3/h7-8,10-12,16,18H,4-6,9H2,1-3H3
InChIKeyFSDJMCIVNHFJOJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.22
Rot. Bonds6

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

6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 83149805) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID83149805
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)C1CC1
InChIInChI=1S/C17H24N2O2/c1-4-9-18-16(11(2)12-5-6-12)13-7-8-14-15(10-13)21-17(20)19(14)3/h7-8,10-12,16,18H,4-6,9H2,1-3H3
InChIKeyFSDJMCIVNHFJOJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62300194
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-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111
6-[2-cyclopropyl-1-(propylamino)ethyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300740
6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 83148970
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
6-[bromo(cyclooctyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 65020555
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300021
6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299129
6-[2-(hydroxymethyl)-1-(methylamino)butyl]-3-methyl-1,3-benzoxazol-2-one
CID 116959922

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one (CID 83149805) is 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one is CCCNC(c1ccc2c(c1)oc(=O)n2C)C(C)C1CC1.
What is the InChIKey of 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FSDJMCIVNHFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-18-16(11(2)12-5-6-12)13-7-8-14-15(10-13)21-17(20)19(14)3/h7-8,10-12,16,18H,4-6,9H2,1-3H3.
What are the key properties of 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 288.39 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 6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 83149805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).