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

C17H25N3O3 — CID 129331885

IUPAC(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1ccoc1CN[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-11(2)16-19-17(23-20-16)15(13-5-7-21-8-6-13)18-10-14-12(3)4-9-22-14/h4,9,11,13,15,18H,5-8,10H2,1-3H3/t15-/m0/s1
InChIKeyKDZRBWVCHDMWBO-HNNXBMFYSA-N
MW319.40 g/mol
LogP3.35
Rot. Bonds6

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

(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 129331885) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1S)-N-[(3-methylfuran-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-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID129331885
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1ccoc1CN[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-11(2)16-19-17(23-20-16)15(13-5-7-21-8-6-13)18-10-14-12(3)4-9-22-14/h4,9,11,13,15,18H,5-8,10H2,1-3H3/t15-/m0/s1
InChIKeyKDZRBWVCHDMWBO-HNNXBMFYSA-N
XLogP3.35
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methylfuran-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-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 129331885) is (1S)-N-[(3-methylfuran-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-[(3-methylfuran-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-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is Cc1ccoc1CN[C@H](c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is KDZRBWVCHDMWBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)16-19-17(23-20-16)15(13-5-7-21-8-6-13)18-10-14-12(3)4-9-22-14/h4,9,11,13,15,18H,5-8,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 319.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 129331885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).