3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide

C19H19ClN2O3 — CID 9225411

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-3-13-4-7-15(8-5-13)21-18(23)10-11-22-16-9-6-14(20)12-17(16)25-19(22)24/h4-9,12H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyDTRQGFCIHLVLGM-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.23
Rot. Bonds6

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide (PubChem CID 9225411) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
PubChem CID9225411
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-3-13-4-7-15(8-5-13)21-18(23)10-11-22-16-9-6-14(20)12-17(16)25-19(22)24/h4-9,12H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyDTRQGFCIHLVLGM-UHFFFAOYSA-N
XLogP4.23
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 24509479
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 9255702
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712
[4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 8948610
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-quinolin-3-ylpropanamide
CID 18146539
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 18151405

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide (CID 9225411) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide is CCCc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide?
The InChIKey is DTRQGFCIHLVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-3-13-4-7-15(8-5-13)21-18(23)10-11-22-16-9-6-14(20)12-17(16)25-19(22)24/h4-9,12H,2-3,10-11H2,1H3,(H,21,23).
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide has a molecular weight of 358.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide is sourced from PubChem (CID 9225411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).