N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C22H19ClN4O3 — CID 66791388

IUPACN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClN4O3/c1-14-12-27(13-25-14)20-7-6-16(9-21(20)29-2)22(28)24-11-18-10-19(26-30-18)15-4-3-5-17(23)8-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)
InChIKeyBVZWAPVCFXIAHI-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.43
Rot. Bonds6

About N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66791388) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66791388
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClN4O3/c1-14-12-27(13-25-14)20-7-6-16(9-21(20)29-2)22(28)24-11-18-10-19(26-30-18)15-4-3-5-17(23)8-15/h3-10,12-13H,11H2,1-2H3,(H,24,28)
InChIKeyBVZWAPVCFXIAHI-UHFFFAOYSA-N
XLogP4.43
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 66791388) is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is BVZWAPVCFXIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-12-27(13-25-14)20-7-6-16(9-21(20)29-2)22(28)24-11-18-10-19(26-30-18)15-4-3-5-17(23)8-15/h3-10,12-13H,11H2,1-2H3,(H,24,28).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 422.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66791388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).