(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C14H18ClN3O — CID 95279758

IUPAC(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCc1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN3O/c1-3-4-13-17-14(19-18-13)9-16-10(2)11-5-7-12(15)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKeyPWADUYHLRFFJAU-JTQLQIEISA-N
MW279.77 g/mol
LogP3.53
Rot. Bonds6

About (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 95279758) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID95279758
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCc1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H18ClN3O/c1-3-4-13-17-14(19-18-13)9-16-10(2)11-5-7-12(15)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKeyPWADUYHLRFFJAU-JTQLQIEISA-N
XLogP3.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 95279758) is (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCCc1noc(CN[C@@H](C)c2ccc(Cl)cc2)n1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is PWADUYHLRFFJAU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-4-13-17-14(19-18-13)9-16-10(2)11-5-7-12(15)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 95279758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).