5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

C22H17ClN2O4 — CID 17092589

IUPAC5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O4/c1-27-16-5-3-4-13(10-16)22-25-18-12-15(7-9-20(18)29-22)24-21(26)17-11-14(23)6-8-19(17)28-2/h3-12H,1-2H3,(H,24,26)
InChIKeyIGSLLYQRSLFGAD-UHFFFAOYSA-N
MW408.84 g/mol
LogP5.42
Rot. Bonds5

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

5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 17092589) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID17092589
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCOc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O4/c1-27-16-5-3-4-13(10-16)22-25-18-12-15(7-9-20(18)29-22)24-21(26)17-11-14(23)6-8-19(17)28-2/h3-12H,1-2H3,(H,24,26)
InChIKeyIGSLLYQRSLFGAD-UHFFFAOYSA-N
XLogP5.42
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
5-chloro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide
CID 43913292
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
2-chloro-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 17092603
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23967983
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 17092589) is 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is IGSLLYQRSLFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-27-16-5-3-4-13(10-16)22-25-18-12-15(7-9-20(18)29-22)24-21(26)17-11-14(23)6-8-19(17)28-2/h3-12H,1-2H3,(H,24,26).
What are the key properties of 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 408.84 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 17092589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).