[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine

C14H13FN4O — CID 123260566

IUPAC[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
SMILESNCc1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H13FN4O/c15-12-4-2-1-3-10(12)9-19-14(7-11(8-16)17-19)13-5-6-20-18-13/h1-7H,8-9,16H2
InChIKeyVPIUFHDFIMGPOA-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.18
Rot. Bonds4

About [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine

[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine (PubChem CID 123260566) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
PubChem CID123260566
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
SMILESNCc1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C14H13FN4O/c15-12-4-2-1-3-10(12)9-19-14(7-11(8-16)17-19)13-5-6-20-18-13/h1-7H,8-9,16H2
InChIKeyVPIUFHDFIMGPOA-UHFFFAOYSA-N
XLogP2.18
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
CID 163980281
(4S)-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(2-hydroxypropan-2-yl)-3-methyl-4H-pyrimidin-4-ol
CID 126491226
3-[1-[(2-fluorophenyl)methyl]-3-[4-nitroso-5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 129169524
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-N-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]pyrimidine-4,5-diamine
CID 145046913
3-[1-[(2-fluorophenyl)methyl]-3-[4-(sulfamoylamino)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole;hydrochloride
CID 162324845
3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanediamide
CID 118233464
methyl 3-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-oxopropanoate
CID 118962822
ethane;3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5,5-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazin-6-one
CID 145046823
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
CID 56597271

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine (CID 123260566) is [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine is NCc1cc(-c2ccon2)n(Cc2ccccc2F)n1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine?
The InChIKey is VPIUFHDFIMGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-12-4-2-1-3-10(12)9-19-14(7-11(8-16)17-19)13-5-6-20-18-13/h1-7H,8-9,16H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine?
[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine has a molecular weight of 272.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 123260566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).