N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide

C12H13N3O2S — CID 30957436

IUPACN-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C12H13N3O2S/c16-12(14-11-5-7-17-15-11)10-4-3-9(18-10)8-2-1-6-13-8/h3-5,7-8,13H,1-2,6H2,(H,14,15,16)/t8-/m0/s1
InChIKeyPOAJTZGUXCAKPV-QMMMGPOBSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide

N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 30957436) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID30957436
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1ccc([C@@H]2CCCN2)s1
InChIInChI=1S/C12H13N3O2S/c16-12(14-11-5-7-17-15-11)10-4-3-9(18-10)8-2-1-6-13-8/h3-5,7-8,13H,1-2,6H2,(H,14,15,16)/t8-/m0/s1
InChIKeyPOAJTZGUXCAKPV-QMMMGPOBSA-N
XLogP2.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1246248
N-(Isoxazol-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247043
N-3-isoxazolyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 2971043
5-bromo-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1246154
N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-3-isoxazolyl-2-(2-thienyl)acetamide
CID 1246102
N-3-isoxazolyl-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 2970361
N1-(isoxazol-3-yl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18588599
N1-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)-N2-(isoxazol-3-yl)oxalamide
CID 18589140
N-3-isoxazolyl1-(2-thienyl)cyclopentanecarboxamide
CID 42435382
N1-(isoxazol-3-yl)-N2-(1-(thiophen-2-yl)propan-2-yl)oxalamide
CID 45555184
4-[(diethylamino)sulfonyl]-N-3-isoxazolyl-2-thiophenecarboxamide
CID 6503212

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide (CID 30957436) is N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(Nc1ccon1)c1ccc([C@@H]2CCCN2)s1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is POAJTZGUXCAKPV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(14-11-5-7-17-15-11)10-4-3-9(18-10)8-2-1-6-13-8/h3-5,7-8,13H,1-2,6H2,(H,14,15,16)/t8-/m0/s1.
What are the key properties of N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30957436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).