N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide

C12H13N3O4S — CID 140582744

IUPACN-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1cnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H13N3O4S/c1-8(10-7-14-12(19-10)20(2,17)18)15-11(16)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyIRJFMQIUOIASMB-QMMMGPOBSA-N
MW295.32 g/mol
LogP0.96
Rot. Bonds4

About N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide

N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 140582744) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID140582744
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC NameN-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1cnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H13N3O4S/c1-8(10-7-14-12(19-10)20(2,17)18)15-11(16)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyIRJFMQIUOIASMB-QMMMGPOBSA-N
XLogP0.96
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide (CID 140582744) is N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)c1cnc(S(C)(=O)=O)o1.
What is the InChIKey of N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is IRJFMQIUOIASMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8(10-7-14-12(19-10)20(2,17)18)15-11(16)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide?
N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).