(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

C14H18ClN3O — CID 97333530

IUPAC(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-4-13(11-5-7-12(15)8-6-11)16-9(2)14-18-17-10(3)19-14/h5-9,13,16H,4H2,1-3H3/t9-,13+/m0/s1
InChIKeyWJZNOUVNHVWRKE-TVQRCGJNSA-N
MW279.77 g/mol
LogP3.83
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine

(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 97333530) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID97333530
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-4-13(11-5-7-12(15)8-6-11)16-9(2)14-18-17-10(3)19-14/h5-9,13,16H,4H2,1-3H3/t9-,13+/m0/s1
InChIKeyWJZNOUVNHVWRKE-TVQRCGJNSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79040582
1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63431464
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
(1S)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(3,4,5-trifluorophenyl)ethanamine
CID 95767491
2-[1-[1-(4-chlorophenyl)propylamino]ethyl]benzene-1,3-diol
CID 107710624
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 97333530) is (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is CC[C@@H](N[C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WJZNOUVNHVWRKE-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-13(11-5-7-12(15)8-6-11)16-9(2)14-18-17-10(3)19-14/h5-9,13,16H,4H2,1-3H3/t9-,13+/m0/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 97333530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).