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

C20H22N4O3 — CID 92888694

IUPAC1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-4-13(2)21-20(25)22-16-10-8-14(9-11-16)18-23-19(27-24-18)15-6-5-7-17(12-15)26-3/h5-13H,4H2,1-3H3,(H2,21,22,25)/t13-/m1/s1
InChIKeyWMUIXSRRNKBSPZ-CYBMUJFWSA-N
MW366.42 g/mol
LogP4.33
Rot. Bonds6

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

1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 92888694) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
PubChem CID92888694
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-4-13(2)21-20(25)22-16-10-8-14(9-11-16)18-23-19(27-24-18)15-6-5-7-17(12-15)26-3/h5-13H,4H2,1-3H3,(H2,21,22,25)/t13-/m1/s1
InChIKeyWMUIXSRRNKBSPZ-CYBMUJFWSA-N
XLogP4.33
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
1-[(2R)-butan-2-yl]-3-[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 92888676
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
1-[(2R)-butan-2-yl]-3-[4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888716
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
1-[(2S)-butan-2-yl]-3-[4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888675
1-butan-2-yl-3-[4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778238
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 92888694) is 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(OC)c3)n2)cc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The InChIKey is WMUIXSRRNKBSPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-13(2)21-20(25)22-16-10-8-14(9-11-16)18-23-19(27-24-18)15-6-5-7-17(12-15)26-3/h5-13H,4H2,1-3H3,(H2,21,22,25)/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 366.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 92888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).