(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one

C9H15N3O2 — CID 6852125

IUPAC(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESC[C@H](N)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1
InChIKeyPVDZDTVFUVTTDU-YFKPBYRVSA-N
MW197.24 g/mol
LogP0.90
Rot. Bonds2

About (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one

(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 6852125) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID6852125
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESC[C@H](N)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1
InChIKeyPVDZDTVFUVTTDU-YFKPBYRVSA-N
XLogP0.90
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
CID 139483469
5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide
CID 126832908
5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22661082
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 10343847
N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 10160255
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide
CID 58124164
1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanone
CID 53402922
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
CID 58747624
methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 23006648
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
CID 62020627
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 6852125) is (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one is C[C@H](N)C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is PVDZDTVFUVTTDU-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one?
(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 197.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 6852125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).