N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H16N2O3 — CID 61222499

IUPACN-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H16N2O3/c1-9-13(10(2)19-16-9)14(18)15-12-5-3-11(4-6-12)7-8-17/h3-6,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBQOMLLPMPLOBNE-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 61222499) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID61222499
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H16N2O3/c1-9-13(10(2)19-16-9)14(18)15-12-5-3-11(4-6-12)7-8-17/h3-6,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBQOMLLPMPLOBNE-UHFFFAOYSA-N
XLogP2.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71881165
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
[2-(4-butylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682209
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 61222499) is N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is BQOMLLPMPLOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-13(10(2)19-16-9)14(18)15-12-5-3-11(4-6-12)7-8-17/h3-6,17H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 61222499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).