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

C22H21ClN4O5 — CID 162734024

IUPAC2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(Cc4ccc(Cl)cc4)C3=O)o2)cc1OC
InChIInChI=1S/C22H21ClN4O5/c1-30-17-8-7-16(11-18(17)31-2)25-20(28)19-12-24-21(32-19)27-10-9-26(22(27)29)13-14-3-5-15(23)6-4-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28)
InChIKeyYOORPIMBLJEMRI-UHFFFAOYSA-N
MW456.89 g/mol
LogP4.04
Rot. Bonds7

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

2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 162734024) has the molecular formula C22H21ClN4O5 and a molecular weight of 456.89 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID162734024
Molecular FormulaC22H21ClN4O5
Molecular Weight456.89 g/mol
Exact Mass456.12
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(Cc4ccc(Cl)cc4)C3=O)o2)cc1OC
InChIInChI=1S/C22H21ClN4O5/c1-30-17-8-7-16(11-18(17)31-2)25-20(28)19-12-24-21(32-19)27-10-9-26(22(27)29)13-14-3-5-15(23)6-4-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28)
InChIKeyYOORPIMBLJEMRI-UHFFFAOYSA-N
XLogP4.04
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
4-chloro-N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-methoxybenzamide
CID 53187433
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
N-[(2S)-4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxybenzamide
CID 93121563
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 71448041
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2,3-dimethoxybenzamide
CID 53187542
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide (CID 162734024) is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCN(Cc4ccc(Cl)cc4)C3=O)o2)cc1OC.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is YOORPIMBLJEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O5/c1-30-17-8-7-16(11-18(17)31-2)25-20(28)19-12-24-21(32-19)27-10-9-26(22(27)29)13-14-3-5-15(23)6-4-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 456.89 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 162734024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).