2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide

C20H14BrN3O3 — CID 39347163

IUPAC2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O3/c1-26-17-7-6-12(20-24-16-11-22-9-8-18(16)27-20)10-15(17)23-19(25)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,23,25)
InChIKeyVDGHSGKUBVPAOK-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.91
Rot. Bonds4

About 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide

2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide (PubChem CID 39347163) has the molecular formula C20H14BrN3O3 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
PubChem CID39347163
Molecular FormulaC20H14BrN3O3
Molecular Weight424.25 g/mol
Exact Mass423.02
IUPAC Name2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O3/c1-26-17-7-6-12(20-24-16-11-22-9-8-18(16)27-20)10-15(17)23-19(25)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,23,25)
InChIKeyVDGHSGKUBVPAOK-UHFFFAOYSA-N
XLogP4.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39341655
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
2-methoxy-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4574036
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 46785895
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
4-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]benzamide
CID 3322598
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
CID 5259179
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide (CID 39347163) is 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide is COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The InChIKey is VDGHSGKUBVPAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3/c1-26-17-7-6-12(20-24-16-11-22-9-8-18(16)27-20)10-15(17)23-19(25)13-4-2-3-5-14(13)21/h2-11H,1H3,(H,23,25).
What are the key properties of 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide has a molecular weight of 424.25 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 39347163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).