3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide

C30H26F2N4O2 — CID 42632760

IUPAC3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(C)(c4ccccn4)C3)c2)c(F)c1
InChIInChI=1S/C30H26F2N4O2/c1-18-7-9-24(25(32)12-18)20-13-21(27-16-30(3,38-36-27)28-6-4-5-11-33-28)15-22(14-20)29(37)35-19(2)26-10-8-23(31)17-34-26/h4-15,17,19H,16H2,1-3H3,(H,35,37)/t19-,30?/m1/s1
InChIKeyFOQBNUYAYBQAJU-HZRSZRRBSA-N
MW512.56 g/mol
LogP6.26
Rot. Bonds6

About 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide

3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide (PubChem CID 42632760) has the molecular formula C30H26F2N4O2 and a molecular weight of 512.56 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide
PubChem CID42632760
Molecular FormulaC30H26F2N4O2
Molecular Weight512.56 g/mol
Exact Mass512.20
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(C)(c4ccccn4)C3)c2)c(F)c1
InChIInChI=1S/C30H26F2N4O2/c1-18-7-9-24(25(32)12-18)20-13-21(27-16-30(3,38-36-27)28-6-4-5-11-33-28)15-22(14-20)29(37)35-19(2)26-10-8-23(31)17-34-26/h4-15,17,19H,16H2,1-3H3,(H,35,37)/t19-,30?/m1/s1
InChIKeyFOQBNUYAYBQAJU-HZRSZRRBSA-N
XLogP6.26
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide (CID 42632760) is 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C3=NOC(C)(c4ccccn4)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide?
The InChIKey is FOQBNUYAYBQAJU-HZRSZRRBSA-N. The full InChI is InChI=1S/C30H26F2N4O2/c1-18-7-9-24(25(32)12-18)20-13-21(27-16-30(3,38-36-27)28-6-4-5-11-33-28)15-22(14-20)29(37)35-19(2)26-10-8-23(31)17-34-26/h4-15,17,19H,16H2,1-3H3,(H,35,37)/t19-,30?/m1/s1.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide?
3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide has a molecular weight of 512.56 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-(5-methyl-5-pyridin-2-yl-4H-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 42632760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).