5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen

C9H17N3O — CID 169163796

IUPAC5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen
SMILESCCC(C)c1nnc(NC2CC2)o1.[H][H]
InChIInChI=1S/C9H15N3O.H2/c1-3-6(2)8-11-12-9(13-8)10-7-4-5-7;/h6-7H,3-5H2,1-2H3,(H,10,12);1H
InChIKeyKTBQUFUOWIMVJM-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.40
Rot. Bonds4

About 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen

5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen (PubChem CID 169163796) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen.

Molecular Properties

Compound Name5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen
PubChem CID169163796
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen
SMILESCCC(C)c1nnc(NC2CC2)o1.[H][H]
InChIInChI=1S/C9H15N3O.H2/c1-3-6(2)8-11-12-9(13-8)10-7-4-5-7;/h6-7H,3-5H2,1-2H3,(H,10,12);1H
InChIKeyKTBQUFUOWIMVJM-UHFFFAOYSA-N
XLogP2.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97204402
5-cyclopropyl-N-[di(cyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
CID 128384669
N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 128002038
5-(difluoromethyl)-N-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 130653983
5-cyclopropyl-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
CID 130718439
5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine
CID 130866278
N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
CID 131036308
N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 131048618
5-cyclopropyl-N-(2,2-difluoropropyl)-1,3,4-oxadiazol-2-amine
CID 131107593
5-cyclopropyl-N-(1,1,1-trifluoropentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 132376759
5-tert-butyl-N-(4,4-difluoro-2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 166251624
5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 166316906

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen?
The IUPAC name of 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen (CID 169163796) is 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen.
What is the SMILES notation for 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen?
The canonical SMILES for 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen is CCC(C)c1nnc(NC2CC2)o1.[H][H].
What is the InChIKey of 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen?
The InChIKey is KTBQUFUOWIMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.H2/c1-3-6(2)8-11-12-9(13-8)10-7-4-5-7;/h6-7H,3-5H2,1-2H3,(H,10,12);1H.
What are the key properties of 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen?
5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen has a molecular weight of 183.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-cyclopropyl-1,3,4-oxadiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 169163796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).