2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine

C15H21N3O3 — CID 91584029

IUPAC2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine
SMILESCc1ccc2c(c1)C1(CCCCOCO2)N=C(N)N(C)O1
InChIInChI=1S/C15H21N3O3/c1-11-5-6-13-12(9-11)15(17-14(16)18(2)21-15)7-3-4-8-19-10-20-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,17)
InChIKeyQMKZKCQMQHQVIX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.88
Rot. Bonds

About 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine

2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine (PubChem CID 91584029) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine.

Molecular Properties

Compound Name2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine
PubChem CID91584029
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine
SMILESCc1ccc2c(c1)C1(CCCCOCO2)N=C(N)N(C)O1
InChIInChI=1S/C15H21N3O3/c1-11-5-6-13-12(9-11)15(17-14(16)18(2)21-15)7-3-4-8-19-10-20-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,17)
InChIKeyQMKZKCQMQHQVIX-UHFFFAOYSA-N
XLogP1.88
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-amino-3'-methyl-10-(3-methylphenyl)spiro[4,5,6,7-tetrahydro-1,3-benzodioxecine-8,5'-imidazole]-4'-one
CID 91360728
2-methyl-2'-(3-methylphenyl)spiro[1,2,4-oxadiazole-5,4'-6,7-dihydro-5H-1-benzothiophene]-3-amine
CID 118033112
3-(4'-acetyl-3-amino-2-methylspiro[1,2,4-oxadiazole-5,8'-3,5,6,7-tetrahydro-2H-1,4-benzoxazecine]-10'-yl)benzonitrile
CID 90750075
CID 58424063
CID 58424063
6'-bromo-2-methyl-2'-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 91092630
6'-(3-fluorophenyl)-2-methyl-2'-(oxan-3-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 58424020
3-[(5R)-3-amino-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile;3,4-dihydro-2H-chromene
CID 143944612
10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine
CID 90956526
CID 58424406
CID 58424406
4,6-dimethyl-2,3-dihydrochromen-4-amine
CID 82194374
CID 58424052
CID 58424052
2'-(2,2-dimethyloxan-4-yl)-2-methyl-6'-(6-methyl-2-pyridinyl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 91533809

Frequently Asked Questions

What is the IUPAC name of 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine?
The IUPAC name of 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine (CID 91584029) is 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine.
What is the SMILES notation for 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine?
The canonical SMILES for 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine is Cc1ccc2c(c1)C1(CCCCOCO2)N=C(N)N(C)O1.
What is the InChIKey of 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine?
The InChIKey is QMKZKCQMQHQVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-5-6-13-12(9-11)15(17-14(16)18(2)21-15)7-3-4-8-19-10-20-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,17).
What are the key properties of 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine?
2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine has a molecular weight of 291.35 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine is sourced from PubChem (CID 91584029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).