N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C15H14N2O3 — CID 63334167

IUPACN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnoc2C)cc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-10-5-6-13(8-12(10)4-3-7-18)17-15(19)14-9-16-20-11(14)2/h5-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyNXOQESCLTUFPON-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.89
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 63334167) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID63334167
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnoc2C)cc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-10-5-6-13(8-12(10)4-3-7-18)17-15(19)14-9-16-20-11(14)2/h5-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyNXOQESCLTUFPON-UHFFFAOYSA-N
XLogP1.89
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60804766
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 103121264
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 63333986
2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 106688725
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
CID 107181332
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 104780561
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 63334167) is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2cnoc2C)cc1C#CCO.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NXOQESCLTUFPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-6-13(8-12(10)4-3-7-18)17-15(19)14-9-16-20-11(14)2/h5-6,8-9,18H,7H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 63334167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).