5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C16H13FN4O2 — CID 146220472

IUPAC5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESC=Cc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H13FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h2-8,10H,1,9H2,(H,19,22)
InChIKeyYJHJQXHMJDTXDU-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.95
Rot. Bonds5

About 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220472) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220472
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESC=Cc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H13FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h2-8,10H,1,9H2,(H,19,22)
InChIKeyYJHJQXHMJDTXDU-UHFFFAOYSA-N
XLogP2.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220472) is 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is C=Cc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.
What is the InChIKey of 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YJHJQXHMJDTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h2-8,10H,1,9H2,(H,19,22).
What are the key properties of 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).