[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

C12H17N5O2 — CID 106410300

IUPAC[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1nc(Cn2cncc2C(N)C2CCOC2)no1
InChIInChI=1S/C12H17N5O2/c1-8-15-11(16-19-8)5-17-7-14-4-10(17)12(13)9-2-3-18-6-9/h4,7,9,12H,2-3,5-6,13H2,1H3
InChIKeyPMUANQUVVHDCKN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.66
Rot. Bonds4

About [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 106410300) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID106410300
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1nc(Cn2cncc2C(N)C2CCOC2)no1
InChIInChI=1S/C12H17N5O2/c1-8-15-11(16-19-8)5-17-7-14-4-10(17)12(13)9-2-3-18-6-9/h4,7,9,12H,2-3,5-6,13H2,1H3
InChIKeyPMUANQUVVHDCKN-UHFFFAOYSA-N
XLogP0.66
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine with MolForge

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Related Compounds

[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
[3-[(6-methoxy-3-pyridinyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720287
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 106410300) is [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1nc(Cn2cncc2C(N)C2CCOC2)no1.
What is the InChIKey of [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is PMUANQUVVHDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-15-11(16-19-8)5-17-7-14-4-10(17)12(13)9-2-3-18-6-9/h4,7,9,12H,2-3,5-6,13H2,1H3.
What are the key properties of [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 263.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106410300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).