5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine

C7H14N4O — CID 134256929

IUPAC5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C7H14N4O/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11)/t5-/m0/s1
InChIKeyWBRYTZFISKPNJX-YFKPBYRVSA-N
MW170.22 g/mol
LogP0.77
Rot. Bonds3

About 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine

5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 134256929) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID134256929
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C7H14N4O/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11)/t5-/m0/s1
InChIKeyWBRYTZFISKPNJX-YFKPBYRVSA-N
XLogP0.77
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
CID 84655414
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 9170516
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 933237
5-iodo-N-methyl-1,3,4-oxadiazol-2-amine
CID 146438012
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
CID 106968768
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 134256929) is 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc([C@@H](N)C(C)C)o1.
What is the InChIKey of 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WBRYTZFISKPNJX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 170.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134256929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).