5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

C22H17BrN2O3 — CID 1341227

IUPAC5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1
InChIInChI=1S/C22H17BrN2O3/c1-13-3-5-14(6-4-13)22-25-18-12-16(8-10-20(18)28-22)24-21(26)17-11-15(23)7-9-19(17)27-2/h3-12H,1-2H3,(H,24,26)
InChIKeyBWMAQHOLUYZGCA-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.83
Rot. Bonds4

About 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 1341227) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID1341227
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1
InChIInChI=1S/C22H17BrN2O3/c1-13-3-5-14(6-4-13)22-25-18-12-16(8-10-20(18)28-22)24-21(26)17-11-15(23)7-9-19(17)27-2/h3-12H,1-2H3,(H,24,26)
InChIKeyBWMAQHOLUYZGCA-UHFFFAOYSA-N
XLogP5.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23967983
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
5-bromo-2-methoxy-3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 2215008
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
5-bromo-2-chloro-N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17128584
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 17117114
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 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 1341227) is 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is BWMAQHOLUYZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c1-13-3-5-14(6-4-13)22-25-18-12-16(8-10-20(18)28-22)24-21(26)17-11-15(23)7-9-19(17)27-2/h3-12H,1-2H3,(H,24,26).
What are the key properties of 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 437.29 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 1341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).