3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide

C20H14BrN3O2 — CID 91624677

IUPAC3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C20H14BrN3O2/c1-12-16(23-18(25)14-8-5-9-15(21)10-14)11-17-20(22-12)26-19(24-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25)
InChIKeyMUZVVLZRICKCBX-UHFFFAOYSA-N
MW408.26 g/mol
LogP5.21
Rot. Bonds3

About 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide

3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide (PubChem CID 91624677) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
PubChem CID91624677
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Name3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C20H14BrN3O2/c1-12-16(23-18(25)14-8-5-9-15(21)10-14)11-17-20(22-12)26-19(24-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25)
InChIKeyMUZVVLZRICKCBX-UHFFFAOYSA-N
XLogP5.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
N-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-bromobenzamide
CID 1048662
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
CID 91624668
3-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 17092399
3-bromo-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1348241
3-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5120026
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 23992514
3-bromo-N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 110735376
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide (CID 91624677) is 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide is Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide?
The InChIKey is MUZVVLZRICKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c1-12-16(23-18(25)14-8-5-9-15(21)10-14)11-17-20(22-12)26-19(24-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,23,25).
What are the key properties of 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide?
3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide has a molecular weight of 408.26 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 91624677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).