4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

C13H10ClFN4O — CID 103119586

IUPAC4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H10ClFN4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(15)6-9(8)14/h2-6H,16H2,1H3
InChIKeyNVKCMSJVSRRDTN-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.12
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (PubChem CID 103119586) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
PubChem CID103119586
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC Name4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H10ClFN4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(15)6-9(8)14/h2-6H,16H2,1H3
InChIKeyNVKCMSJVSRRDTN-UHFFFAOYSA-N
XLogP3.12
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 79977841
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79974175
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 63038642
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (CID 103119586) is 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is Cn1ccc(-c2noc(N)c2-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is NVKCMSJVSRRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c1-19-5-4-10(17-19)12-11(13(16)20-18-12)8-3-2-7(15)6-9(8)14/h2-6H,16H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 292.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103119586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).