(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C11H15N3OS — CID 99821912

IUPAC(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC[C@@H](NCc1nnc(C)o1)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8(2)15-11/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyXMZZYSRHXRPGOA-SECBINFHSA-N
MW237.33 g/mol
LogP2.68
Rot. Bonds5

About (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 99821912) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID99821912
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCC[C@@H](NCc1nnc(C)o1)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8(2)15-11/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyXMZZYSRHXRPGOA-SECBINFHSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 102677243
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057521
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057757
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-ethyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858603

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 99821912) is (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CC[C@@H](NCc1nnc(C)o1)c1cccs1.
What is the InChIKey of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is XMZZYSRHXRPGOA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-9(10-5-4-6-16-10)12-7-11-14-13-8(2)15-11/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 99821912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).