N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C8H10N4O2 — CID 81170570

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1nonc1CNCc1ccon1
InChIInChI=1S/C8H10N4O2/c1-6-8(12-14-10-6)5-9-4-7-2-3-13-11-7/h2-3,9H,4-5H2,1H3
InChIKeyFLRUCZVLXHLNID-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.66
Rot. Bonds4

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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 81170570) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID81170570
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1nonc1CNCc1ccon1
InChIInChI=1S/C8H10N4O2/c1-6-8(12-14-10-6)5-9-4-7-2-3-13-11-7/h2-3,9H,4-5H2,1H3
InChIKeyFLRUCZVLXHLNID-UHFFFAOYSA-N
XLogP0.66
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115876673
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115672626
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495336
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699523
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170956
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
[5-[(1,2-oxazol-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 79496028
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 81170570) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Cc1nonc1CNCc1ccon1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is FLRUCZVLXHLNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6-8(12-14-10-6)5-9-4-7-2-3-13-11-7/h2-3,9H,4-5H2,1H3.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 194.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 81170570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).