5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide

C16H19FN2O3 — CID 99600147

IUPAC5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H19FN2O3/c1-11(2)21-9-3-8-18-16(20)14-10-15(22-19-14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyAMNVCPSWLBXWQC-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.03
Rot. Bonds7

About 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 99600147) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID99600147
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H19FN2O3/c1-11(2)21-9-3-8-18-16(20)14-10-15(22-19-14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyAMNVCPSWLBXWQC-UHFFFAOYSA-N
XLogP3.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
CID 121255246
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629
5-(4-fluorophenyl)-N-[5-[3-(methylsulfanylamino)azetidin-1-yl]pentyl]-1,2-oxazole-3-carboxamide
CID 142434206
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (CID 99600147) is 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is CC(C)OCCCNC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AMNVCPSWLBXWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-11(2)21-9-3-8-18-16(20)14-10-15(22-19-14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99600147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).