3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide

C23H21ClN4O3 — CID 21088609

IUPAC3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O3/c1-15-25-13-14-28(15)23-27-22(16-7-9-17(24)10-8-16)20(31-23)11-12-21(29)26-18-5-3-4-6-19(18)30-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,29)
InChIKeyMPVOIKQHEHNOOP-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.07
Rot. Bonds7

About 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide

3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 21088609) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID21088609
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O3/c1-15-25-13-14-28(15)23-27-22(16-7-9-17(24)10-8-16)20(31-23)11-12-21(29)26-18-5-3-4-6-19(18)30-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,29)
InChIKeyMPVOIKQHEHNOOP-UHFFFAOYSA-N
XLogP5.07
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
CID 11729789
ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
CID 18174694
methyl 4-[3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanoylamino]benzoate
CID 21088528
3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide
CID 57157600
4-(4-chlorophenyl)-5-[4-(1H-imidazol-2-yl)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
CID 70342301
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 21088494
2-[2-[4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]butanoylamino]phenyl]propan-2-ylphosphonic acid
CID 21088394
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 71214458
N-(2-methoxyphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679079
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide
CID 21088545

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide (CID 21088609) is 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is MPVOIKQHEHNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-15-25-13-14-28(15)23-27-22(16-7-9-17(24)10-8-16)20(31-23)11-12-21(29)26-18-5-3-4-6-19(18)30-2/h3-10,13-14H,11-12H2,1-2H3,(H,26,29).
What are the key properties of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide?
3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 436.90 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 21088609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).