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

C14H17N7O2S — CID 72855915

IUPAC1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
SMILESCCCn1cc(NC(=O)NCc2noc(Cc3cccs3)n2)nn1
InChIInChI=1S/C14H17N7O2S/c1-2-5-21-9-12(18-20-21)17-14(22)15-8-11-16-13(23-19-11)7-10-4-3-6-24-10/h3-4,6,9H,2,5,7-8H2,1H3,(H2,15,17,22)
InChIKeyMPFHYXXLXYUJHH-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.05
Rot. Bonds7

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

1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea (PubChem CID 72855915) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
PubChem CID72855915
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
SMILESCCCn1cc(NC(=O)NCc2noc(Cc3cccs3)n2)nn1
InChIInChI=1S/C14H17N7O2S/c1-2-5-21-9-12(18-20-21)17-14(22)15-8-11-16-13(23-19-11)7-10-4-3-6-24-10/h3-4,6,9H,2,5,7-8H2,1H3,(H2,15,17,22)
InChIKeyMPFHYXXLXYUJHH-UHFFFAOYSA-N
XLogP2.05
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea with MolForge

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Related Compounds

N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea
CID 118781465
1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 74249537
2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 55221760
N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 50754812
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31224841

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea?
The IUPAC name of 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea (CID 72855915) is 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea?
The canonical SMILES for 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea is CCCn1cc(NC(=O)NCc2noc(Cc3cccs3)n2)nn1.
What is the InChIKey of 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea?
The InChIKey is MPFHYXXLXYUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c1-2-5-21-9-12(18-20-21)17-14(22)15-8-11-16-13(23-19-11)7-10-4-3-6-24-10/h3-4,6,9H,2,5,7-8H2,1H3,(H2,15,17,22).
What are the key properties of 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea?
1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea has a molecular weight of 347.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea is sourced from PubChem (CID 72855915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).