1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea

C14H18N4O2S — CID 90607709

IUPAC1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
SMILESCc1noc(-c2sccc2NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18N4O2S/c1-9-15-13(20-18-9)12-11(7-8-21-12)17-14(19)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,16,17,19)
InChIKeyMKBHICUMBXAFIJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.56
Rot. Bonds3

About 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea

1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea (PubChem CID 90607709) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
PubChem CID90607709
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
SMILESCc1noc(-c2sccc2NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18N4O2S/c1-9-15-13(20-18-9)12-11(7-8-21-12)17-14(19)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,16,17,19)
InChIKeyMKBHICUMBXAFIJ-UHFFFAOYSA-N
XLogP3.56
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
CID 90607675
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyridine-3-carboxamide
CID 90607576
5-(furan-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,2-oxazole-3-carboxamide
CID 90607549
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607625
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea (CID 90607709) is 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea is Cc1noc(-c2sccc2NC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea?
The InChIKey is MKBHICUMBXAFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-15-13(20-18-9)12-11(7-8-21-12)17-14(19)16-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea?
1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea has a molecular weight of 306.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea is sourced from PubChem (CID 90607709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).