4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C16H15FN4O3 — CID 67120066

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1c(C(N)=O)n[nH]c1Cc1ccc(O)cc1F
InChIInChI=1S/C16H15FN4O3/c1-7-13(8(2)24-21-7)14-12(19-20-15(14)16(18)23)5-9-3-4-10(22)6-11(9)17/h3-4,6,22H,5H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyVUHVZXZCSQGBNX-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.22
Rot. Bonds4

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide

4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 67120066) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID67120066
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1c(C(N)=O)n[nH]c1Cc1ccc(O)cc1F
InChIInChI=1S/C16H15FN4O3/c1-7-13(8(2)24-21-7)14-12(19-20-15(14)16(18)23)5-9-3-4-10(22)6-11(9)17/h3-4,6,22H,5H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyVUHVZXZCSQGBNX-UHFFFAOYSA-N
XLogP2.22
TPSA118.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 67120066) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is Cc1noc(C)c1-c1c(C(N)=O)n[nH]c1Cc1ccc(O)cc1F.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VUHVZXZCSQGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-7-13(8(2)24-21-7)14-12(19-20-15(14)16(18)23)5-9-3-4-10(22)6-11(9)17/h3-4,6,22H,5H2,1-2H3,(H2,18,23)(H,19,20).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 67120066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).