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

C21H22N2O2 — CID 71839806

IUPACN-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H22N2O2/c1-15-6-5-9-17(12-15)21-19(14-25-23-21)10-11-20(24)22-13-18-8-4-3-7-16(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyXKQJNSGWSIDHRE-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds6

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

N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 71839806) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID71839806
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H22N2O2/c1-15-6-5-9-17(12-15)21-19(14-25-23-21)10-11-20(24)22-13-18-8-4-3-7-16(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyXKQJNSGWSIDHRE-UHFFFAOYSA-N
XLogP4.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
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-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
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-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791
N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110678970
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one
CID 71839819

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 71839806) is N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is Cc1cccc(-c2nocc2CCC(=O)NCc2ccccc2C)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is XKQJNSGWSIDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-6-5-9-17(12-15)21-19(14-25-23-21)10-11-20(24)22-13-18-8-4-3-7-16(18)2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 71839806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).