4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol

C16H15FN4O3 — CID 123411651

IUPAC4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)noc2C)c1CN=O
InChIInChI=1S/C16H15FN4O3/c1-8-12(7-18-23)16(15-9(2)20-24-10(15)3)21(19-8)14-5-4-11(22)6-13(14)17/h4-6,22H,7H2,1-3H3
InChIKeyHFNZEUDCMBBGKO-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.56
Rot. Bonds4

About 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol (PubChem CID 123411651) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol
PubChem CID123411651
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)noc2C)c1CN=O
InChIInChI=1S/C16H15FN4O3/c1-8-12(7-18-23)16(15-9(2)20-24-10(15)3)21(19-8)14-5-4-11(22)6-13(14)17/h4-6,22H,7H2,1-3H3
InChIKeyHFNZEUDCMBBGKO-UHFFFAOYSA-N
XLogP3.56
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
CID 53219249
5-(2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 141296741
5-(5-fluoro-2,4-dimethylfuran-3-yl)-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 123964475
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-4-[(Z)-hydroxyiminomethyl]pyrazol-1-yl]-2,5-difluorophenol
CID 138556700
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
4-fluoro-2-(2-fluoro-4-hydroxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 59945485
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-4,5,6,7-tetrahydroindole-1-carboximidamide
CID 77141480
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 67120066
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-1-methylpyrrole-2-carboximidamide
CID 87274907
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1-(4-hydroxyphenyl)pyrazole-4-carbaldehyde
CID 88851136
5-[(Z)-but-2-en-2-yl]-1-(2-fluoro-4-hydroxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 67120037

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol?
The IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol (CID 123411651) is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol?
The canonical SMILES for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol is Cc1nn(-c2ccc(O)cc2F)c(-c2c(C)noc2C)c1CN=O.
What is the InChIKey of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol?
The InChIKey is HFNZEUDCMBBGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-8-12(7-18-23)16(15-9(2)20-24-10(15)3)21(19-8)14-5-4-11(22)6-13(14)17/h4-6,22H,7H2,1-3H3.
What are the key properties of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol?
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol has a molecular weight of 330.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(nitrosomethyl)pyrazol-1-yl]-3-fluorophenol is sourced from PubChem (CID 123411651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).