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

C16H22ClN3O — CID 29001948

IUPAC(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)c1noc([C@@H](C)N[C@@H](C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN3O/c1-10(2)15-19-16(21-20-15)12(4)18-11(3)9-13-5-7-14(17)8-6-13/h5-8,10-12,18H,9H2,1-4H3/t11-,12+/m0/s1
InChIKeyUXVQOURBLIWGRB-NWDGAFQWSA-N
MW307.83 g/mol
LogP4.13
Rot. Bonds6

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

(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 29001948) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID29001948
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)c1noc([C@@H](C)N[C@@H](C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN3O/c1-10(2)15-19-16(21-20-15)12(4)18-11(3)9-13-5-7-14(17)8-6-13/h5-8,10-12,18H,9H2,1-4H3/t11-,12+/m0/s1
InChIKeyUXVQOURBLIWGRB-NWDGAFQWSA-N
XLogP4.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 29001948) is (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(C)c1noc([C@@H](C)N[C@@H](C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is UXVQOURBLIWGRB-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-10(2)15-19-16(21-20-15)12(4)18-11(3)9-13-5-7-14(17)8-6-13/h5-8,10-12,18H,9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 307.83 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 29001948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).