1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea

C16H23N5O2S — CID 126781906

IUPAC1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1cnc(NC(=O)NC2(c3noc(CC)n3)CCCC2)s1
InChIInChI=1S/C16H23N5O2S/c1-3-7-11-10-17-15(24-11)19-14(22)20-16(8-5-6-9-16)13-18-12(4-2)23-21-13/h10H,3-9H2,1-2H3,(H2,17,19,20,22)
InChIKeyVBSXVPGFCYXSGQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.63
Rot. Bonds6

About 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea

1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea (PubChem CID 126781906) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
PubChem CID126781906
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1cnc(NC(=O)NC2(c3noc(CC)n3)CCCC2)s1
InChIInChI=1S/C16H23N5O2S/c1-3-7-11-10-17-15(24-11)19-14(22)20-16(8-5-6-9-16)13-18-12(4-2)23-21-13/h10H,3-9H2,1-2H3,(H2,17,19,20,22)
InChIKeyVBSXVPGFCYXSGQ-UHFFFAOYSA-N
XLogP3.63
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
CID 126776918
5-[[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901883
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549906
4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126780940
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
CID 47781119
4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 122088969
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea
CID 136528986
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea (CID 126781906) is 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea is CCCc1cnc(NC(=O)NC2(c3noc(CC)n3)CCCC2)s1.
What is the InChIKey of 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
The InChIKey is VBSXVPGFCYXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-7-11-10-17-15(24-11)19-14(22)20-16(8-5-6-9-16)13-18-12(4-2)23-21-13/h10H,3-9H2,1-2H3,(H2,17,19,20,22).
What are the key properties of 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea?
1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea has a molecular weight of 349.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 126781906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).