1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea

C12H14N4O2S — CID 52906577

IUPAC1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1nnc(-c2cccs2)o1)NC1CCCC1
InChIInChI=1S/C12H14N4O2S/c17-11(13-8-4-1-2-5-8)14-12-16-15-10(18-12)9-6-3-7-19-9/h3,6-8H,1-2,4-5H2,(H2,13,14,16,17)
InChIKeyNXMMYADTEHRALL-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.86
Rot. Bonds3

About 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea

1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 52906577) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
PubChem CID52906577
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1nnc(-c2cccs2)o1)NC1CCCC1
InChIInChI=1S/C12H14N4O2S/c17-11(13-8-4-1-2-5-8)14-12-16-15-10(18-12)9-6-3-7-19-9/h3,6-8H,1-2,4-5H2,(H2,13,14,16,17)
InChIKeyNXMMYADTEHRALL-UHFFFAOYSA-N
XLogP2.86
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9371955
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
1-cyclobutyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
CID 116658027
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea (CID 52906577) is 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea is O=C(Nc1nnc(-c2cccs2)o1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is NXMMYADTEHRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-11(13-8-4-1-2-5-8)14-12-16-15-10(18-12)9-6-3-7-19-9/h3,6-8H,1-2,4-5H2,(H2,13,14,16,17).
What are the key properties of 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea?
1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 52906577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).