N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide

C20H19ClN2O2 — CID 71839812

IUPACN-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-2-4-16(11-14)20-17(13-25-23-20)7-10-19(24)22-12-15-5-8-18(21)9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,24)
InChIKeyVYMFVTDJKUEFJJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.55
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 71839812) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID71839812
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-2-4-16(11-14)20-17(13-25-23-20)7-10-19(24)22-12-15-5-8-18(21)9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,24)
InChIKeyVYMFVTDJKUEFJJ-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839791
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 71839812) is N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is Cc1cccc(-c2nocc2CCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is VYMFVTDJKUEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-14-3-2-4-16(11-14)20-17(13-25-23-20)7-10-19(24)22-12-15-5-8-18(21)9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 354.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 71839812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).