3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one

C21H24N2O2 — CID 9318182

IUPAC3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
SMILESCC(C)c1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(2)17-9-7-16(8-10-17)13-22(18-11-12-18)14-23-19-5-3-4-6-20(19)25-21(23)24/h3-10,15,18H,11-14H2,1-2H3
InChIKeyINHVTKSOWIPXDN-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.34
Rot. Bonds6

About 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one

3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one (PubChem CID 9318182) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
PubChem CID9318182
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
SMILESCC(C)c1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(2)17-9-7-16(8-10-17)13-22(18-11-12-18)14-23-19-5-3-4-6-20(19)25-21(23)24/h3-10,15,18H,11-14H2,1-2H3
InChIKeyINHVTKSOWIPXDN-UHFFFAOYSA-N
XLogP4.34
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 27374839
cyclopropyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9318181
2-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]isoindole-1,3-dione
CID 18271977
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
CID 60838868
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8915437
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 98296829
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9318404

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one (CID 9318182) is 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one is CC(C)c1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1.
What is the InChIKey of 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is INHVTKSOWIPXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)17-9-7-16(8-10-17)13-22(18-11-12-18)14-23-19-5-3-4-6-20(19)25-21(23)24/h3-10,15,18H,11-14H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 336.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 9318182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).