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

C15H14N2O3 — CID 66336179

IUPACN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C#CCO)cc1NC(=O)c1oncc1C
InChIInChI=1S/C15H14N2O3/c1-10-5-6-12(4-3-7-18)8-13(10)17-15(19)14-11(2)9-16-20-14/h5-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyQMTBBMMIJWDVHA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.89
Rot. Bonds2

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

N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66336179) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66336179
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C#CCO)cc1NC(=O)c1oncc1C
InChIInChI=1S/C15H14N2O3/c1-10-5-6-12(4-3-7-18)8-13(10)17-15(19)14-11(2)9-16-20-14/h5-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyQMTBBMMIJWDVHA-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-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 81288540
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-5-methylthiophene-2-carboxamide
CID 60803489
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960401
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60804713
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 62915057
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334378
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 66336179) is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(C#CCO)cc1NC(=O)c1oncc1C.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QMTBBMMIJWDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-6-12(4-3-7-18)8-13(10)17-15(19)14-11(2)9-16-20-14/h5-6,8-9,18H,7H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-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-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66336179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).