N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide

C16H16N2O3 — CID 81287905

IUPACN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C#CCCO)ccc1NC(=O)c1ccon1
InChIInChI=1S/C16H16N2O3/c1-2-13-11-12(5-3-4-9-19)6-7-14(13)17-16(20)15-8-10-21-18-15/h6-8,10-11,19H,2,4,9H2,1H3,(H,17,20)
InChIKeyGAZVNKXATVZCLU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds4

About N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide

N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 81287905) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID81287905
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C#CCCO)ccc1NC(=O)c1ccon1
InChIInChI=1S/C16H16N2O3/c1-2-13-11-12(5-3-4-9-19)6-7-14(13)17-16(20)15-8-10-21-18-15/h6-8,10-11,19H,2,4,9H2,1H3,(H,17,20)
InChIKeyGAZVNKXATVZCLU-UHFFFAOYSA-N
XLogP2.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
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-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 81288128
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 81287916
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021923
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]thiadiazole-4-carboxamide
CID 65216068
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62199009
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 81287512
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide (CID 81287905) is N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide is CCc1cc(C#CCCO)ccc1NC(=O)c1ccon1.
What is the InChIKey of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GAZVNKXATVZCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-13-11-12(5-3-4-9-19)6-7-14(13)17-16(20)15-8-10-21-18-15/h6-8,10-11,19H,2,4,9H2,1H3,(H,17,20).
What are the key properties of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide?
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 81287905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).