(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

C14H21N5O — CID 124754261

IUPAC(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(C)c1nnc(CN(C)[C@@H](C)Cc2cnccn2)o1
InChIInChI=1S/C14H21N5O/c1-10(2)14-18-17-13(20-14)9-19(4)11(3)7-12-8-15-5-6-16-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1
InChIKeyNOBWHUHLRBIDSP-NSHDSACASA-N
MW275.36 g/mol
LogP2.05
Rot. Bonds6

About (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (PubChem CID 124754261) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
PubChem CID124754261
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(C)c1nnc(CN(C)[C@@H](C)Cc2cnccn2)o1
InChIInChI=1S/C14H21N5O/c1-10(2)14-18-17-13(20-14)9-19(4)11(3)7-12-8-15-5-6-16-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1
InChIKeyNOBWHUHLRBIDSP-NSHDSACASA-N
XLogP2.05
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (CID 124754261) is (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is CC(C)c1nnc(CN(C)[C@@H](C)Cc2cnccn2)o1.
What is the InChIKey of (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is NOBWHUHLRBIDSP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(2)14-18-17-13(20-14)9-19(4)11(3)7-12-8-15-5-6-16-12/h5-6,8,10-11H,7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 124754261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).