3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide

C21H22N2O2 — CID 154860282

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
SMILESCc1noc(C)c1CC(C)C(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H22N2O2/c1-14(12-20-15(2)23-25-16(20)3)21(24)22-19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyITSATHJAXKEGEY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.78
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide (PubChem CID 154860282) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
PubChem CID154860282
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
SMILESCc1noc(C)c1CC(C)C(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H22N2O2/c1-14(12-20-15(2)23-25-16(20)3)21(24)22-19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyITSATHJAXKEGEY-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methyl-N-phenylpropanamide
CID 121339959
(2R)-3-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylpropanamide
CID 121339963
3-[[[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 99775891
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
(3-phenylphenyl)carbamic acid
CID 611602
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
CID 71973688
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
CID 42899690
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide (CID 154860282) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide is Cc1noc(C)c1CC(C)C(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide?
The InChIKey is ITSATHJAXKEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(12-20-15(2)23-25-16(20)3)21(24)22-19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13-14H,12H2,1-3H3,(H,22,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide is sourced from PubChem (CID 154860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).