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

C15H13FN2O3 — CID 106376120

IUPAC3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCO)c(F)c2)o1
InChIInChI=1S/C15H13FN2O3/c1-10-8-17-14(21-10)9-18-15(20)12-5-4-11(3-2-6-19)13(16)7-12/h4-5,7-8,19H,6,9H2,1H3,(H,18,20)
InChIKeyKSTMVVWWLLYRSV-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.40
Rot. Bonds3

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

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 106376120) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID106376120
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCO)c(F)c2)o1
InChIInChI=1S/C15H13FN2O3/c1-10-8-17-14(21-10)9-18-15(20)12-5-4-11(3-2-6-19)13(16)7-12/h4-5,7-8,19H,6,9H2,1H3,(H,18,20)
InChIKeyKSTMVVWWLLYRSV-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376081
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296037
4-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376176
4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103799883
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxypropyl)benzamide
CID 102700170
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 65481556

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 106376120) is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(C#CCO)c(F)c2)o1.
What is the InChIKey of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is KSTMVVWWLLYRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10-8-17-14(21-10)9-18-15(20)12-5-4-11(3-2-6-19)13(16)7-12/h4-5,7-8,19H,6,9H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 288.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106376120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).