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

C16H20N2O3 — CID 61221265

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-14-5-3-13(4-6-14)9-10-19/h3-6,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyKBEOGDJBPPHZBS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide (PubChem CID 61221265) 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-[4-(2-hydroxyethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
PubChem CID61221265
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-14-5-3-13(4-6-14)9-10-19/h3-6,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyKBEOGDJBPPHZBS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
CID 46959010
2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzoic acid
CID 119164210
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 30932866
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-fluorophenyl)thiourea
CID 8635666
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 146021965
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122325701

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide (CID 61221265) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The InChIKey is KBEOGDJBPPHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(12(2)21-18-11)7-8-16(20)17-14-5-3-13(4-6-14)9-10-19/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-[4-(2-hydroxyethyl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.40, 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-[4-(2-hydroxyethyl)phenyl]propanamide is sourced from PubChem (CID 61221265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).