4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C15H13FN2O3 — CID 60817208

IUPAC4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2C#CCCO)on1
InChIInChI=1S/C15H13FN2O3/c1-10-8-14(21-18-10)17-15(20)13-6-5-12(16)9-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,20)
InChIKeyKVWSXKKLHNQTML-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.11
Rot. Bonds3

About 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 60817208) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID60817208
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2C#CCCO)on1
InChIInChI=1S/C15H13FN2O3/c1-10-8-14(21-18-10)17-15(20)13-6-5-12(16)9-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,20)
InChIKeyKVWSXKKLHNQTML-UHFFFAOYSA-N
XLogP2.11
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.11
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

2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817061
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 55239540
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 60815660
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 60817208) is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)cc2C#CCCO)on1.
What is the InChIKey of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is KVWSXKKLHNQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10-8-14(21-18-10)17-15(20)13-6-5-12(16)9-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 288.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 60817208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).