3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide

C20H19ClN2O4 — CID 146122824

IUPAC3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(OC)c3)co2)cc1
InChIInChI=1S/C20H19ClN2O4/c1-25-17-5-3-13(4-6-17)20-23-16(12-27-20)7-8-22-19(24)14-9-15(21)11-18(10-14)26-2/h3-6,9-12H,7-8H2,1-2H3,(H,22,24)
InChIKeyGAIVLTILCMHFKY-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.98
Rot. Bonds7

About 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide

3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide (PubChem CID 146122824) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
PubChem CID146122824
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(OC)c3)co2)cc1
InChIInChI=1S/C20H19ClN2O4/c1-25-17-5-3-13(4-6-17)20-23-16(12-27-20)7-8-22-19(24)14-9-15(21)11-18(10-14)26-2/h3-6,9-12H,7-8H2,1-2H3,(H,22,24)
InChIKeyGAIVLTILCMHFKY-UHFFFAOYSA-N
XLogP3.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 146122184
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125052
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146127190
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 146152069
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46581074
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
CID 159139917
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide (CID 146122824) is 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide is COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(OC)c3)co2)cc1.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
The InChIKey is GAIVLTILCMHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-25-17-5-3-13(4-6-17)20-23-16(12-27-20)7-8-22-19(24)14-9-15(21)11-18(10-14)26-2/h3-6,9-12H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide?
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide has a molecular weight of 386.84 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 146122824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).