N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C21H21ClN2O2 — CID 16593882

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-13-4-6-16(7-5-13)18-12-23-20(26-18)9-8-19(25)24-21-15(3)10-14(2)11-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)
InChIKeyOAXOPCPCDBMAQT-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.49
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16593882) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16593882
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-13-4-6-16(7-5-13)18-12-23-20(26-18)9-8-19(25)24-21-15(3)10-14(2)11-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)
InChIKeyOAXOPCPCDBMAQT-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 55867560
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837843
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370697
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 16593882) is N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is OAXOPCPCDBMAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13-4-6-16(7-5-13)18-12-23-20(26-18)9-8-19(25)24-21-15(3)10-14(2)11-17(21)22/h4-7,10-12H,8-9H2,1-3H3,(H,24,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 368.86 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16593882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).