1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea

C23H19ClN4O2 — CID 29011530

IUPAC1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
SMILESO=C(NCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H19ClN4O2/c24-19-13-11-18(12-14-19)21-27-28-22(30-21)20(17-9-5-2-6-10-17)26-23(29)25-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,25,26,29)/t20-/m1/s1
InChIKeyWYXFWOHPHGCPNS-HXUWFJFHSA-N
MW418.88 g/mol
LogP4.98
Rot. Bonds6

About 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea

1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea (PubChem CID 29011530) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
PubChem CID29011530
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
SMILESO=C(NCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H19ClN4O2/c24-19-13-11-18(12-14-19)21-27-28-22(30-21)20(17-9-5-2-6-10-17)26-23(29)25-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,25,26,29)/t20-/m1/s1
InChIKeyWYXFWOHPHGCPNS-HXUWFJFHSA-N
XLogP4.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
CID 46345827
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
CID 92750550
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-2-(3-fluorophenyl)acetamide
CID 26791757
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976
ethyl 2-[[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamoylamino]acetate
CID 28697919
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-methylphenyl)urea
CID 20960287
1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 26791772
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
CID 26791796
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?
The IUPAC name of 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea (CID 29011530) is 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?
The canonical SMILES for 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea is O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?
The InChIKey is WYXFWOHPHGCPNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-19-13-11-18(12-14-19)21-27-28-22(30-21)20(17-9-5-2-6-10-17)26-23(29)25-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H2,25,26,29)/t20-/m1/s1.
What are the key properties of 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?
1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea has a molecular weight of 418.88 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea is sourced from PubChem (CID 29011530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).