N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide

C19H21N3O2S — CID 127934447

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC(c4ccsc4)CC3)ccc2o1
InChIInChI=1S/C19H21N3O2S/c1-2-18-21-16-11-15(3-4-17(16)24-18)20-19(23)22-8-5-13(6-9-22)14-7-10-25-12-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H,20,23)
InChIKeyYYLQFJYQQSCWKW-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.86
Rot. Bonds3

About N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 127934447) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID127934447
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
SMILESCCc1nc2cc(NC(=O)N3CCC(c4ccsc4)CC3)ccc2o1
InChIInChI=1S/C19H21N3O2S/c1-2-18-21-16-11-15(3-4-17(16)24-18)20-19(23)22-8-5-13(6-9-22)14-7-10-25-12-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H,20,23)
InChIKeyYYLQFJYQQSCWKW-UHFFFAOYSA-N
XLogP4.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
(3S)-N-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 71992250
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992151
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-(2,4-dimethoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522522
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide (CID 127934447) is N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide is CCc1nc2cc(NC(=O)N3CCC(c4ccsc4)CC3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is YYLQFJYQQSCWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-18-21-16-11-15(3-4-17(16)24-18)20-19(23)22-8-5-13(6-9-22)14-7-10-25-12-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H,20,23).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 127934447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).