3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide

C20H20N2O3 — CID 110025780

IUPAC3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
SMILESCc1coc(-c2cccc(NC(=O)CC(C)(O)c3ccccc3)c2)n1
InChIInChI=1S/C20H20N2O3/c1-14-13-25-19(21-14)15-7-6-10-17(11-15)22-18(23)12-20(2,24)16-8-4-3-5-9-16/h3-11,13,24H,12H2,1-2H3,(H,22,23)
InChIKeyKBABHJQXBDZIKH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.89
Rot. Bonds5

About 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide

3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide (PubChem CID 110025780) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
PubChem CID110025780
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
SMILESCc1coc(-c2cccc(NC(=O)CC(C)(O)c3ccccc3)c2)n1
InChIInChI=1S/C20H20N2O3/c1-14-13-25-19(21-14)15-7-6-10-17(11-15)22-18(23)12-20(2,24)16-8-4-3-5-9-16/h3-11,13,24H,12H2,1-2H3,(H,22,23)
InChIKeyKBABHJQXBDZIKH-UHFFFAOYSA-N
XLogP3.89
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
3-hydroxy-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylbutanamide
CID 90178107
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119808894
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337943
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 136514551
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide (CID 110025780) is 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide is Cc1coc(-c2cccc(NC(=O)CC(C)(O)c3ccccc3)c2)n1.
What is the InChIKey of 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide?
The InChIKey is KBABHJQXBDZIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-13-25-19(21-14)15-7-6-10-17(11-15)22-18(23)12-20(2,24)16-8-4-3-5-9-16/h3-11,13,24H,12H2,1-2H3,(H,22,23).
What are the key properties of 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide?
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide has a molecular weight of 336.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 110025780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).