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

C13H21N7O2 — CID 72841327

IUPAC1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)N(CC)Cc2nnc(CC)o2)nn1
InChIInChI=1S/C13H21N7O2/c1-4-7-20-8-10(15-18-20)14-13(21)19(6-3)9-12-17-16-11(5-2)22-12/h8H,4-7,9H2,1-3H3,(H,14,21)
InChIKeySWDVQAJXADXHDQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.69
Rot. Bonds7

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

1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea (PubChem CID 72841327) has the molecular formula C13H21N7O2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea
PubChem CID72841327
Molecular FormulaC13H21N7O2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)N(CC)Cc2nnc(CC)o2)nn1
InChIInChI=1S/C13H21N7O2/c1-4-7-20-8-10(15-18-20)14-13(21)19(6-3)9-12-17-16-11(5-2)22-12/h8H,4-7,9H2,1-3H3,(H,14,21)
InChIKeySWDVQAJXADXHDQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea (CID 72841327) is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The canonical SMILES for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea is CCCn1cc(NC(=O)N(CC)Cc2nnc(CC)o2)nn1.
What is the InChIKey of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The InChIKey is SWDVQAJXADXHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2/c1-4-7-20-8-10(15-18-20)14-13(21)19(6-3)9-12-17-16-11(5-2)22-12/h8H,4-7,9H2,1-3H3,(H,14,21).
What are the key properties of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea has a molecular weight of 307.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propyltriazol-4-yl)urea is sourced from PubChem (CID 72841327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).