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

C15H14N2O3 — CID 66334378

IUPACN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccccc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-11-9-17-20-14(11)15(19)16-10-13-6-3-2-5-12(13)7-4-8-18/h2-3,5-6,9,18H,8,10H2,1H3,(H,16,19)
InChIKeyJUIWDXRGIDYKLD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.26
Rot. Bonds3

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

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66334378) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66334378
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccccc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-11-9-17-20-14(11)15(19)16-10-13-6-3-2-5-12(13)7-4-8-18/h2-3,5-6,9,18H,8,10H2,1H3,(H,16,19)
InChIKeyJUIWDXRGIDYKLD-UHFFFAOYSA-N
XLogP1.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.26
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-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215157
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66334390
4-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110851934
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66336179
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 79035627
3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 66334630
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81121475

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 66334378) is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1ccccc1C#CCO.
What is the InChIKey of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JUIWDXRGIDYKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-9-17-20-14(11)15(19)16-10-13-6-3-2-5-12(13)7-4-8-18/h2-3,5-6,9,18H,8,10H2,1H3,(H,16,19).
What are the key properties of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66334378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).