1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea

C15H18N8O2 — CID 72858849

IUPAC1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCC(C)c1noc(CCNC(=O)Nc2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C15H18N8O2/c1-10(2)14-19-13(25-20-14)7-8-16-15(24)18-11-3-5-12(6-4-11)23-9-17-21-22-23/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,24)
InChIKeySHCLUDFGUWMQGM-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea

1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea (PubChem CID 72858849) has the molecular formula C15H18N8O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea
PubChem CID72858849
Molecular FormulaC15H18N8O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCC(C)c1noc(CCNC(=O)Nc2ccc(-n3cnnn3)cc2)n1
InChIInChI=1S/C15H18N8O2/c1-10(2)14-19-13(25-20-14)7-8-16-15(24)18-11-3-5-12(6-4-11)23-9-17-21-22-23/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,24)
InChIKeySHCLUDFGUWMQGM-UHFFFAOYSA-N
XLogP1.53
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea (CID 72858849) is 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea is CC(C)c1noc(CCNC(=O)Nc2ccc(-n3cnnn3)cc2)n1.
What is the InChIKey of 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea?
The InChIKey is SHCLUDFGUWMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2/c1-10(2)14-19-13(25-20-14)7-8-16-15(24)18-11-3-5-12(6-4-11)23-9-17-21-22-23/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18,24).
What are the key properties of 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea?
1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea has a molecular weight of 342.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[4-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 72858849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).