N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H19N3O2S — CID 91813432

IUPACN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccsc1)N1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H19N3O2S/c23-19(16-11-18(24-21-16)14-5-2-1-3-6-14)20-12-17(22-8-4-9-22)15-7-10-25-13-15/h1-3,5-7,10-11,13,17H,4,8-9,12H2,(H,20,23)
InChIKeyWVZCDNUESSHTIC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 91813432) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID91813432
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(c1ccsc1)N1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H19N3O2S/c23-19(16-11-18(24-21-16)14-5-2-1-3-6-14)20-12-17(22-8-4-9-22)15-7-10-25-13-15/h1-3,5-7,10-11,13,17H,4,8-9,12H2,(H,20,23)
InChIKeyWVZCDNUESSHTIC-UHFFFAOYSA-N
XLogP3.58
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272210
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 22509660
N-[(2S)-2-(2,4-difluorophenyl)-2-pyrrolidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 100829675
5-[4-(2-methylpropoxy)phenyl]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 35582755
5-[4-(2-methylpropoxy)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 35582758
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 91813432) is N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC(c1ccsc1)N1CCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is WVZCDNUESSHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(16-11-18(24-21-16)14-5-2-1-3-6-14)20-12-17(22-8-4-9-22)15-7-10-25-13-15/h1-3,5-7,10-11,13,17H,4,8-9,12H2,(H,20,23).
What are the key properties of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91813432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).