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

C14H18ClN3O — CID 86922549

IUPAC1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCc1noc(C(C)NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN3O/c1-4-13-17-14(19-18-13)10(3)16-9(2)11-7-5-6-8-12(11)15/h5-10,16H,4H2,1-3H3
InChIKeyBEFUGFRYHRAHLH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.70
Rot. Bonds5

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

1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 86922549) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID86922549
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCc1noc(C(C)NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H18ClN3O/c1-4-13-17-14(19-18-13)10(3)16-9(2)11-7-5-6-8-12(11)15/h5-10,16H,4H2,1-3H3
InChIKeyBEFUGFRYHRAHLH-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 95156109
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 131927054
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107315627
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97333724
1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 78819544
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63352599
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 86922549) is 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CCc1noc(C(C)NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is BEFUGFRYHRAHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-13-17-14(19-18-13)10(3)16-9(2)11-7-5-6-8-12(11)15/h5-10,16H,4H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 86922549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).