N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

C21H15ClN2O3 — CID 1049579

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O3/c1-26-18-5-3-2-4-16(18)20(25)23-15-9-6-13(7-10-15)21-24-17-12-14(22)8-11-19(17)27-21/h2-12H,1H3,(H,23,25)
InChIKeyNXOZATRTYYPXPY-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 1049579) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
PubChem CID1049579
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H15ClN2O3/c1-26-18-5-3-2-4-16(18)20(25)23-15-9-6-13(7-10-15)21-24-17-12-14(22)8-11-19(17)27-21/h2-12H,1H3,(H,23,25)
InChIKeyNXOZATRTYYPXPY-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 1367030
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 1048259
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1101614

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (CID 1049579) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is NXOZATRTYYPXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-18-5-3-2-4-16(18)20(25)23-15-9-6-13(7-10-15)21-24-17-12-14(22)8-11-19(17)27-21/h2-12H,1H3,(H,23,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 1049579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).