1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C23H21N5O4 — CID 90563093

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1OC
InChIInChI=1S/C23H21N5O4/c1-30-19-8-7-17(14-20(19)31-2)25-23(29)26-18-6-4-3-5-16(18)13-21-27-22(28-32-21)15-9-11-24-12-10-15/h3-12,14H,13H2,1-2H3,(H2,25,26,29)
InChIKeyRESVGYQAVKSTNN-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.38
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 90563093) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID90563093
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1OC
InChIInChI=1S/C23H21N5O4/c1-30-19-8-7-17(14-20(19)31-2)25-23(29)26-18-6-4-3-5-16(18)13-21-27-22(28-32-21)15-9-11-24-12-10-15/h3-12,14H,13H2,1-2H3,(H2,25,26,29)
InChIKeyRESVGYQAVKSTNN-UHFFFAOYSA-N
XLogP4.38
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea with MolForge

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Related Compounds

3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
6-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 90563019
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
1-(3,5-dimethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563892
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 90563093) is 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is COc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is RESVGYQAVKSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-19-8-7-17(14-20(19)31-2)25-23(29)26-18-6-4-3-5-16(18)13-21-27-22(28-32-21)15-9-11-24-12-10-15/h3-12,14H,13H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 431.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 90563093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).