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

C24H22N4O4 — CID 92710998

IUPAC1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C24H22N4O4/c1-30-19-14-13-18(15-20(19)31-2)25-24(29)26-21(16-9-5-3-6-10-16)23-28-27-22(32-23)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,25,26,29)/t21-/m1/s1
InChIKeyFMOCJGCIZNYJGA-OAQYLSRUSA-N
MW430.46 g/mol
LogP4.66
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 92710998) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID92710998
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C24H22N4O4/c1-30-19-14-13-18(15-20(19)31-2)25-24(29)26-21(16-9-5-3-6-10-16)23-28-27-22(32-23)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,25,26,29)/t21-/m1/s1
InChIKeyFMOCJGCIZNYJGA-OAQYLSRUSA-N
XLogP4.66
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711061
1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 28814790
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
CID 26791796
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2,5-dimethoxyphenyl)urea
CID 17252106
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-methylphenyl)urea
CID 20960287
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976
1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 26791772
1-(2,5-dimethylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711003
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 92710998) is 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is COc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is FMOCJGCIZNYJGA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-19-14-13-18(15-20(19)31-2)25-24(29)26-21(16-9-5-3-6-10-16)23-28-27-22(32-23)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,25,26,29)/t21-/m1/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 430.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 92710998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).