3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide

C16H20N2O3 — CID 110908981

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccccc1CO
InChIInChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-9-13-5-3-4-6-14(13)10-19/h3-6,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyZFNLUSGISSEECG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 110908981) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID110908981
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccccc1CO
InChIInChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-9-13-5-3-4-6-14(13)10-19/h3-6,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyZFNLUSGISSEECG-UHFFFAOYSA-N
XLogP2.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-nitrophenyl)methyl]propanamide
CID 87004960
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 127266617
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701579
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide (CID 110908981) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide is Cc1noc(C)c1CCC(=O)NCc1ccccc1CO.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is ZFNLUSGISSEECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-9-13-5-3-4-6-14(13)10-19/h3-6,19H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 110908981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).