5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine

C10H11N3O2 — CID 62098909

IUPAC5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC(c1ccccc1)c1nnc(N)o1
InChIInChI=1S/C10H11N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-13-10(11)15-9/h2-6,8H,1H3,(H2,11,13)
InChIKeyDUQHVFZZLUEJMJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.39
Rot. Bonds3

About 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine

5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 62098909) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID62098909
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOC(c1ccccc1)c1nnc(N)o1
InChIInChI=1S/C10H11N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-13-10(11)15-9/h2-6,8H,1H3,(H2,11,13)
InChIKeyDUQHVFZZLUEJMJ-UHFFFAOYSA-N
XLogP1.39
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-(azepan-1-yl)propan-2-yl]-5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazole
CID 125419332
2-[(S)-methoxy(phenyl)methyl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 125419425
2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 142316188
5-chloro-2-[methoxy(phenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539639
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
2-[methoxy(phenyl)methyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953800
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
3-methoxy-6-[methoxy(phenyl)methyl]pyridazine
CID 15684260
N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25298167
N-[(4-methoxyphenyl)methyl]-3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25298169
N-benzyl-N-(2-hydroxyethyl)-3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 26396186
N-benzyl-N-(2-hydroxyethyl)-3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 45247454

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 62098909) is 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine is COC(c1ccccc1)c1nnc(N)o1.
What is the InChIKey of 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DUQHVFZZLUEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-13-10(11)15-9/h2-6,8H,1H3,(H2,11,13).
What are the key properties of 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 205.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 62098909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).