[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol

C15H16FN3O2 — CID 57161239

IUPAC[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
SMILESCC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO
InChIInChI=1S/C15H16FN3O2/c1-11-9-21-15(19(11)10-20)14-6-7-18(17-14)8-12-4-2-3-5-13(12)16/h2-7,9,15,20H,8,10H2,1H3
InChIKeyMBJYRLKNTNPNSA-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.21
Rot. Bonds4

About [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol

[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol (PubChem CID 57161239) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
PubChem CID57161239
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
SMILESCC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO
InChIInChI=1S/C15H16FN3O2/c1-11-9-21-15(19(11)10-20)14-6-7-18(17-14)8-12-4-2-3-5-13(12)16/h2-7,9,15,20H,8,10H2,1H3
InChIKeyMBJYRLKNTNPNSA-UHFFFAOYSA-N
XLogP2.21
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cizolirtine
CID 132412
Cizolirtine, (+)-
CID 3037765
Ethanamine, N,N-dimethyl-2-((S)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-
CID 10220803
[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2H-1,3-oxazol-3-yl]methanol
CID 57186695
[1-[(2-Fluorophenyl)methyl]-4-methylpyrazol-3-yl]methanol
CID 59823782
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
1-(2-Fluorophenyl)-3-(methoxymethyl)pyrazole
CID 66014329
[1-(2-Fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol
CID 67167968
(4-(4-Fluorophenyl)-1-methyl-1H-pyrazol-3-yl)methanol
CID 69207008
1-[2-(Difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
CID 90764770
5-(Methoxymethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 91092143
1-[4-Fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
CID 91487701

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol (CID 57161239) is [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol.
What is the SMILES notation for [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The canonical SMILES for [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol is CC1=COC(c2ccn(Cc3ccccc3F)n2)N1CO.
What is the InChIKey of [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The InChIKey is MBJYRLKNTNPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11-9-21-15(19(11)10-20)14-6-7-18(17-14)8-12-4-2-3-5-13(12)16/h2-7,9,15,20H,8,10H2,1H3.
What are the key properties of [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
[2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol has a molecular weight of 289.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol is sourced from PubChem (CID 57161239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).