N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide

C22H17ClN2O3 — CID 17162616

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O3/c1-13-5-3-8-17(20(13)27-2)21(26)24-16-7-4-6-14(11-16)22-25-18-12-15(23)9-10-19(18)28-22/h3-12H,1-2H3,(H,24,26)
InChIKeyUHACPUBDCSJUFR-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.72
Rot. Bonds4

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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide (PubChem CID 17162616) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
PubChem CID17162616
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O3/c1-13-5-3-8-17(20(13)27-2)21(26)24-16-7-4-6-14(11-16)22-25-18-12-15(23)9-10-19(18)28-22/h3-12H,1-2H3,(H,24,26)
InChIKeyUHACPUBDCSJUFR-UHFFFAOYSA-N
XLogP5.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 135718121
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
5-bromo-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3966966
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide (CID 17162616) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The InChIKey is UHACPUBDCSJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-13-5-3-8-17(20(13)27-2)21(26)24-16-7-4-6-14(11-16)22-25-18-12-15(23)9-10-19(18)28-22/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide has a molecular weight of 392.84 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17162616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).