(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C18H27N3O3 — CID 129331035

IUPAC(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCCc1ccc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)o1
InChIInChI=1S/C18H27N3O3/c1-4-14-5-6-15(23-14)11-19-16(13-7-9-22-10-8-13)18-20-17(12(2)3)21-24-18/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1
InChIKeyITUDLCBSPXXPBN-INIZCTEOSA-N
MW333.43 g/mol
LogP3.61
Rot. Bonds7

About (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine

(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 129331035) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID129331035
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCCc1ccc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)o1
InChIInChI=1S/C18H27N3O3/c1-4-14-5-6-15(23-14)11-19-16(13-7-9-22-10-8-13)18-20-17(12(2)3)21-24-18/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1
InChIKeyITUDLCBSPXXPBN-INIZCTEOSA-N
XLogP3.61
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 129331035) is (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is CCc1ccc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)o1.
What is the InChIKey of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is ITUDLCBSPXXPBN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-14-5-6-15(23-14)11-19-16(13-7-9-22-10-8-13)18-20-17(12(2)3)21-24-18/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 333.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 129331035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).