1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea

C18H16Cl2N4O4 — CID 137282988

IUPAC1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2noc(=O)[nH]2)cc1
InChIInChI=1S/C18H16Cl2N4O4/c1-27-12-5-2-10(3-6-12)8-15(16-23-18(26)28-24-16)22-17(25)21-11-4-7-13(19)14(20)9-11/h2-7,9,15H,8H2,1H3,(H2,21,22,25)(H,23,24,26)
InChIKeyVDSYNMDBZNNXAH-UHFFFAOYSA-N
MW423.26 g/mol
LogP3.78
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea

1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 137282988) has the molecular formula C18H16Cl2N4O4 and a molecular weight of 423.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID137282988
Molecular FormulaC18H16Cl2N4O4
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2noc(=O)[nH]2)cc1
InChIInChI=1S/C18H16Cl2N4O4/c1-27-12-5-2-10(3-6-12)8-15(16-23-18(26)28-24-16)22-17(25)21-11-4-7-13(19)14(20)9-11/h2-7,9,15H,8H2,1H3,(H2,21,22,25)(H,23,24,26)
InChIKeyVDSYNMDBZNNXAH-UHFFFAOYSA-N
XLogP3.78
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea
CID 137282994
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
1-(6-chloro-3-pyridinyl)-3-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]urea
CID 135238768
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(2,5-dichlorophenyl)methyl]urea
CID 121471368
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-(4-cyanophenyl)-3-[(1S)-1-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2-(4-methoxyphenyl)ethyl]urea
CID 135255206
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
2-[5-[(1S)-1-[(4-chlorophenyl)carbamoylamino]-2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]acetic acid
CID 135238910
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 137282988) is 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea is COc1ccc(CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2noc(=O)[nH]2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is VDSYNMDBZNNXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O4/c1-27-12-5-2-10(3-6-12)8-15(16-23-18(26)28-24-16)22-17(25)21-11-4-7-13(19)14(20)9-11/h2-7,9,15H,8H2,1H3,(H2,21,22,25)(H,23,24,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 423.26 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 137282988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).