5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C7H13N3O — CID 123200239

IUPAC5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC(C)C)o1
InChIInChI=1S/C7H13N3O/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyDNNFMCOUGBWHCR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds3

About 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 123200239) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID123200239
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC(C)C)o1
InChIInChI=1S/C7H13N3O/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyDNNFMCOUGBWHCR-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 123200239) is 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is CCc1nnc(NC(C)C)o1.
What is the InChIKey of 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is DNNFMCOUGBWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 155.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 123200239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).