[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

C14H17N3O2 — CID 117401910

IUPAC[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1(C)CCc2ccc(-c3noc(CN)n3)cc2O1
InChIInChI=1S/C14H17N3O2/c1-14(2)6-5-9-3-4-10(7-11(9)18-14)13-16-12(8-15)19-17-13/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyJIWBYUOEANGCEH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds2

About [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117401910) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117401910
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1(C)CCc2ccc(-c3noc(CN)n3)cc2O1
InChIInChI=1S/C14H17N3O2/c1-14(2)6-5-9-3-4-10(7-11(9)18-14)13-16-12(8-15)19-17-13/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyJIWBYUOEANGCEH-UHFFFAOYSA-N
XLogP2.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112725
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
CID 117362341
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723
[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117396391
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117485620
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1,2-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336157

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117401910) is [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is CC1(C)CCc2ccc(-c3noc(CN)n3)cc2O1.
What is the InChIKey of [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is JIWBYUOEANGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)6-5-9-3-4-10(7-11(9)18-14)13-16-12(8-15)19-17-13/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117401910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).