N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

C17H21N3O2 — CID 45202202

IUPACN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCN(Cc1nc(CC2CC2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C17H21N3O2/c1-20(10-14-9-13-4-2-3-5-15(13)21-14)11-17-18-16(19-22-17)8-12-6-7-12/h2-5,12,14H,6-11H2,1H3
InChIKeyIXGSSXXHSONWLN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.46
Rot. Bonds6

About N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 45202202) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID45202202
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCN(Cc1nc(CC2CC2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C17H21N3O2/c1-20(10-14-9-13-4-2-3-5-15(13)21-14)11-17-18-16(19-22-17)8-12-6-7-12/h2-5,12,14H,6-11H2,1H3
InChIKeyIXGSSXXHSONWLN-UHFFFAOYSA-N
XLogP2.46
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (CID 45202202) is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is CN(Cc1nc(CC2CC2)no1)CC1Cc2ccccc2O1.
What is the InChIKey of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is IXGSSXXHSONWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(10-14-9-13-4-2-3-5-15(13)21-14)11-17-18-16(19-22-17)8-12-6-7-12/h2-5,12,14H,6-11H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 299.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 45202202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).