N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C12H13N3O2 — CID 106393066

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1ncon1
InChIInChI=1S/C12H13N3O2/c1-2-4-11-9(3-1)10(5-6-16-11)13-7-12-14-8-17-15-12/h1-4,8,10,13H,5-7H2
InChIKeyVSABDQHJAYXTHU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106393066) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID106393066
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1ncon1
InChIInChI=1S/C12H13N3O2/c1-2-4-11-9(3-1)10(5-6-16-11)13-7-12-14-8-17-15-12/h1-4,8,10,13H,5-7H2
InChIKeyVSABDQHJAYXTHU-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-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

8-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 106392868
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 106393670
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 106393976
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
CID 62894751
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 106393066) is N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VSABDQHJAYXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-4-11-9(3-1)10(5-6-16-11)13-7-12-14-8-17-15-12/h1-4,8,10,13H,5-7H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106393066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).