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

C16H16N2O3 — CID 60802849

IUPACN-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)no2)c(C#CCCO)c1
InChIInChI=1S/C16H16N2O3/c1-11-6-7-14(13(9-11)5-3-4-8-19)17-16(20)15-10-12(2)18-21-15/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,20)
InChIKeyOWSMXIAHIHWFQQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.28
Rot. Bonds3

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

N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 60802849) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID60802849
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)no2)c(C#CCCO)c1
InChIInChI=1S/C16H16N2O3/c1-11-6-7-14(13(9-11)5-3-4-8-19)17-16(20)15-10-12(2)18-21-15/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,20)
InChIKeyOWSMXIAHIHWFQQ-UHFFFAOYSA-N
XLogP2.28
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.28
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)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopropanecarboxamide
CID 60804593
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 60815059
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 62915057
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 55239540
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-2-carboxamide
CID 62214635
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 82746553

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 60802849) is N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(C)no2)c(C#CCCO)c1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OWSMXIAHIHWFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-7-14(13(9-11)5-3-4-8-19)17-16(20)15-10-12(2)18-21-15/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60802849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).