N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine

C15H19N3O3 — CID 75374203

IUPACN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc2c(c1)OCCC2Nc1nc(C(C)C)no1
InChIInChI=1S/C15H19N3O3/c1-9(2)14-17-15(21-18-14)16-12-6-7-20-13-8-10(19-3)4-5-11(12)13/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyAYSJWUPNODFNTQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.14
Rot. Bonds4

About N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine

N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 75374203) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID75374203
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc2c(c1)OCCC2Nc1nc(C(C)C)no1
InChIInChI=1S/C15H19N3O3/c1-9(2)14-17-15(21-18-14)16-12-6-7-20-13-8-10(19-3)4-5-11(12)13/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyAYSJWUPNODFNTQ-UHFFFAOYSA-N
XLogP3.14
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 75374203) is N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is COc1ccc2c(c1)OCCC2Nc1nc(C(C)C)no1.
What is the InChIKey of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is AYSJWUPNODFNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)14-17-15(21-18-14)16-12-6-7-20-13-8-10(19-3)4-5-11(12)13/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75374203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).