N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide

C23H19ClN2O4 — CID 1363611

IUPACN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1
InChIInChI=1S/C23H19ClN2O4/c1-13-4-5-14(23-26-20-11-16(24)6-7-21(20)30-23)10-19(13)25-22(27)15-8-17(28-2)12-18(9-15)29-3/h4-12H,1-3H3,(H,25,27)
InChIKeyYYAGHKMQGMGXMG-UHFFFAOYSA-N
MW422.87 g/mol
LogP5.73
Rot. Bonds5

About N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide (PubChem CID 1363611) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
PubChem CID1363611
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1
InChIInChI=1S/C23H19ClN2O4/c1-13-4-5-14(23-26-20-11-16(24)6-7-21(20)30-23)10-19(13)25-22(27)15-8-17(28-2)12-18(9-15)29-3/h4-12H,1-3H3,(H,25,27)
InChIKeyYYAGHKMQGMGXMG-UHFFFAOYSA-N
XLogP5.73
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.87
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782453
2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 3512132
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185179
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 23908779
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476
N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methylbenzamide
CID 4265600
5-bromo-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3356107
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 1362607

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide (CID 1363611) is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1.
What is the InChIKey of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide?
The InChIKey is YYAGHKMQGMGXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-13-4-5-14(23-26-20-11-16(24)6-7-21(20)30-23)10-19(13)25-22(27)15-8-17(28-2)12-18(9-15)29-3/h4-12H,1-3H3,(H,25,27).
What are the key properties of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide?
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide has a molecular weight of 422.87 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1363611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).