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

C16H17N5O2 — CID 99820516

IUPAC5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nnc([C@@H]4CCCO4)o3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-2-5-13(6-3-1)21-9-8-12(20-21)11-17-16-19-18-15(23-16)14-7-4-10-22-14/h1-3,5-6,8-9,14H,4,7,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyOLZSCBDGXZLVNZ-AWEZNQCLSA-N
MW311.34 g/mol
LogP2.72
Rot. Bonds5

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

5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 99820516) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID99820516
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nnc([C@@H]4CCCO4)o3)n2)cc1
InChIInChI=1S/C16H17N5O2/c1-2-5-13(6-3-1)21-9-8-12(20-21)11-17-16-19-18-15(23-16)14-7-4-10-22-14/h1-3,5-6,8-9,14H,4,7,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyOLZSCBDGXZLVNZ-AWEZNQCLSA-N
XLogP2.72
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
CID 164635662
N-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-5-(oxolan-2-yl)-1,3,4-oxadiazol-2-amine
CID 167874498
5-(ethoxymethyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 126771336
5-(methoxymethyl)-N-[(1-phenyltriazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 177907631
N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498274
5-tert-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75521964
5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 91647075
5-[(2R)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 99820517
5-[(2S)-oxolan-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 99820645
5-[(2R)-oxolan-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 99820646
5-(oxolan-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 121515019
5-butyl-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 126794781

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 99820516) is 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is c1ccc(-n2ccc(CNc3nnc([C@@H]4CCCO4)o3)n2)cc1.
What is the InChIKey of 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OLZSCBDGXZLVNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-5-13(6-3-1)21-9-8-12(20-21)11-17-16-19-18-15(23-16)14-7-4-10-22-14/h1-3,5-6,8-9,14H,4,7,10-11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 311.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-3-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 99820516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).