1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea

C18H22ClN3O2 — CID 136585897

IUPAC1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C(C)C)c1NC(=O)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClN3O2/c1-10(2)17-16(11(3)22-24-17)21-18(23)20-15-8-13(9-15)12-4-6-14(19)7-5-12/h4-7,10,13,15H,8-9H2,1-3H3,(H2,20,21,23)
InChIKeyWPKALRNHYKDANF-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.83
Rot. Bonds4

About 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea

1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea (PubChem CID 136585897) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea
PubChem CID136585897
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C(C)C)c1NC(=O)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClN3O2/c1-10(2)17-16(11(3)22-24-17)21-18(23)20-15-8-13(9-15)12-4-6-14(19)7-5-12/h4-7,10,13,15H,8-9H2,1-3H3,(H2,20,21,23)
InChIKeyWPKALRNHYKDANF-UHFFFAOYSA-N
XLogP4.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)cyclobutyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 166222362
1-[3-(4-chlorophenyl)cyclobutyl]-3-[1-(2-phenylcyclopropyl)ethyl]urea
CID 166369745
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
CID 166369476
N-[3-(4-chlorophenyl)cyclobutyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129479993
tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 166332739
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43635589
N-[3-(4-chlorophenyl)cyclobutyl]-5-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 166222363
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpiperidin-4-yl)urea
CID 52887488
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea (CID 136585897) is 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea is Cc1noc(C(C)C)c1NC(=O)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea?
The InChIKey is WPKALRNHYKDANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-10(2)17-16(11(3)22-24-17)21-18(23)20-15-8-13(9-15)12-4-6-14(19)7-5-12/h4-7,10,13,15H,8-9H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea?
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea has a molecular weight of 347.85 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 136585897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).