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

C21H21ClN2O5 — CID 90613410

IUPAC3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1OC
InChIInChI=1S/C21H21ClN2O5/c1-12-19(20(24-29-12)14-6-4-5-7-15(14)22)21(26)23-11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10,16,25H,11H2,1-3H3,(H,23,26)
InChIKeyHPXRKKTWDSGWFC-UHFFFAOYSA-N
MW416.86 g/mol
LogP3.78
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 90613410) has the molecular formula C21H21ClN2O5 and a molecular weight of 416.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID90613410
Molecular FormulaC21H21ClN2O5
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1OC
InChIInChI=1S/C21H21ClN2O5/c1-12-19(20(24-29-12)14-6-4-5-7-15(14)22)21(26)23-11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10,16,25H,11H2,1-3H3,(H,23,26)
InChIKeyHPXRKKTWDSGWFC-UHFFFAOYSA-N
XLogP3.78
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1070606
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90558002
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764465
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 90613410) is 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(C(O)CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HPXRKKTWDSGWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5/c1-12-19(20(24-29-12)14-6-4-5-7-15(14)22)21(26)23-11-16(25)13-8-9-17(27-2)18(10-13)28-3/h4-10,16,25H,11H2,1-3H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 416.86 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90613410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).