2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole

C18H13F2N3O — CID 139216515

IUPAC2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(Cc3ccc(F)c(F)c3)o2)c2ccccc21
InChIInChI=1S/C18H13F2N3O/c1-23-15-5-3-2-4-12(15)18(22-23)16-10-21-17(24-16)9-11-6-7-13(19)14(20)8-11/h2-8,10H,9H2,1H3
InChIKeyJKMDCIUMHBCWFY-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.10
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole

2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole (PubChem CID 139216515) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole
PubChem CID139216515
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(Cc3ccc(F)c(F)c3)o2)c2ccccc21
InChIInChI=1S/C18H13F2N3O/c1-23-15-5-3-2-4-12(15)18(22-23)16-10-21-17(24-16)9-11-6-7-13(19)14(20)8-11/h2-8,10H,9H2,1H3
InChIKeyJKMDCIUMHBCWFY-UHFFFAOYSA-N
XLogP4.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole (CID 139216515) is 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole is Cn1nc(-c2cnc(Cc3ccc(F)c(F)c3)o2)c2ccccc21.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole?
The InChIKey is JKMDCIUMHBCWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c1-23-15-5-3-2-4-12(15)18(22-23)16-10-21-17(24-16)9-11-6-7-13(19)14(20)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole?
2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole has a molecular weight of 325.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-5-(1-methylindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 139216515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).