N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine

C12H16N4O2 — CID 164635662

IUPACN-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCn1cccc1CNc1nnc([C@@H]2CCCO2)o1
InChIInChI=1S/C12H16N4O2/c1-16-6-2-4-9(16)8-13-12-15-14-11(18-12)10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyPYDIYAUPRCLKCC-JTQLQIEISA-N
MW248.29 g/mol
LogP1.87
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine

N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 164635662) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID164635662
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCn1cccc1CNc1nnc([C@@H]2CCCO2)o1
InChIInChI=1S/C12H16N4O2/c1-16-6-2-4-9(16)8-13-12-15-14-11(18-12)10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyPYDIYAUPRCLKCC-JTQLQIEISA-N
XLogP1.87
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine (CID 164635662) is N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine is Cn1cccc1CNc1nnc([C@@H]2CCCO2)o1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PYDIYAUPRCLKCC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-6-2-4-9(16)8-13-12-15-14-11(18-12)10-5-3-7-17-10/h2,4,6,10H,3,5,7-8H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine?
N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164635662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).