(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol

C10H10BrF2N3O2 — CID 164719257

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol
SMILESCn1cc(C(O)c2cc(CC(F)F)no2)c(Br)n1
InChIInChI=1S/C10H10BrF2N3O2/c1-16-4-6(10(11)14-16)9(17)7-2-5(15-18-7)3-8(12)13/h2,4,8-9,17H,3H2,1H3
InChIKeyREPOLPHRRWXLDV-UHFFFAOYSA-N
MW322.11 g/mol
LogP2.06
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol (PubChem CID 164719257) has the molecular formula C10H10BrF2N3O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol
PubChem CID164719257
Molecular FormulaC10H10BrF2N3O2
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol
SMILESCn1cc(C(O)c2cc(CC(F)F)no2)c(Br)n1
InChIInChI=1S/C10H10BrF2N3O2/c1-16-4-6(10(11)14-16)9(17)7-2-5(15-18-7)3-8(12)13/h2,4,8-9,17H,3H2,1H3
InChIKeyREPOLPHRRWXLDV-UHFFFAOYSA-N
XLogP2.06
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol (CID 164719257) is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol is Cn1cc(C(O)c2cc(CC(F)F)no2)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is REPOLPHRRWXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O2/c1-16-4-6(10(11)14-16)9(17)7-2-5(15-18-7)3-8(12)13/h2,4,8-9,17H,3H2,1H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 322.11 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 164719257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).