(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine

C14H17F2N3O2 — CID 96531102

IUPAC(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESCc1nnc([C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C14H17F2N3O2/c1-8(17-9(2)13-19-18-10(3)20-13)11-4-6-12(7-5-11)21-14(15)16/h4-9,14,17H,1-3H3/t8-,9-/m0/s1
InChIKeyOMGSFBVSEAOCES-IUCAKERBSA-N
MW297.31 g/mol
LogP3.39
Rot. Bonds6

About (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine

(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (PubChem CID 96531102) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
PubChem CID96531102
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
SMILESCc1nnc([C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C14H17F2N3O2/c1-8(17-9(2)13-19-18-10(3)20-13)11-4-6-12(7-5-11)21-14(15)16/h4-9,14,17H,1-3H3/t8-,9-/m0/s1
InChIKeyOMGSFBVSEAOCES-IUCAKERBSA-N
XLogP3.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine (CID 96531102) is (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)o1.
What is the InChIKey of (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
The InChIKey is OMGSFBVSEAOCES-IUCAKERBSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(17-9(2)13-19-18-10(3)20-13)11-4-6-12(7-5-11)21-14(15)16/h4-9,14,17H,1-3H3/t8-,9-/m0/s1.
What are the key properties of (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine?
(1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine has a molecular weight of 297.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 96531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).