3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C22H23ClN2O4 — CID 143074953

IUPAC3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-4-11-28-18-10-5-15(12-19(18)27-3)13-24-22(26)20-14(2)29-25-21(20)16-6-8-17(23)9-7-16/h5-10,12H,4,11,13H2,1-3H3,(H,24,26)
InChIKeyPBIUUQPVKFPRDS-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.03
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 143074953) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID143074953
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1OC
InChIInChI=1S/C22H23ClN2O4/c1-4-11-28-18-10-5-15(12-19(18)27-3)13-24-22(26)20-14(2)29-25-21(20)16-6-8-17(23)9-7-16/h5-10,12H,4,11,13H2,1-3H3,(H,24,26)
InChIKeyPBIUUQPVKFPRDS-UHFFFAOYSA-N
XLogP5.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805827
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 46446935
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 6874526
4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 55694184
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52700850
3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 60544817
5-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391547
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 25058216
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 143074953) is 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCCOc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PBIUUQPVKFPRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-4-11-28-18-10-5-15(12-19(18)27-3)13-24-22(26)20-14(2)29-25-21(20)16-6-8-17(23)9-7-16/h5-10,12H,4,11,13H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 143074953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).