6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

C10H8N4O3 — CID 148691871

IUPAC6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C10H8N4O3/c1-15-6-2-3-7-8(4-6)17-9(12-7)13-10-14-11-5-16-10/h2-5H,1H3,(H,12,13,14)
InChIKeyNTQGKRLRWVEGTF-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.96
Rot. Bonds3

About 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 148691871) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID148691871
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C10H8N4O3/c1-15-6-2-3-7-8(4-6)17-9(12-7)13-10-14-11-5-16-10/h2-5H,1H3,(H,12,13,14)
InChIKeyNTQGKRLRWVEGTF-UHFFFAOYSA-N
XLogP1.96
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
CID 134284097
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carbaldehyde
CID 155709058
4-amino-N-(6-methoxy-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 165355582
N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine
CID 69173935
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
CID 134284162
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 148691871) is 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is COc1ccc2nc(Nc3nnco3)oc2c1.
What is the InChIKey of 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is NTQGKRLRWVEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-15-6-2-3-7-8(4-6)17-9(12-7)13-10-14-11-5-16-10/h2-5H,1H3,(H,12,13,14).
What are the key properties of 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 232.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 148691871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).