N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide

C14H15N3O4S — CID 99872802

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC[C@@H]2CCCO2)co1)c1ccsc1
InChIInChI=1S/C14H15N3O4S/c18-12(9-3-5-22-8-9)17-14-16-11(7-21-14)13(19)15-6-10-2-1-4-20-10/h3,5,7-8,10H,1-2,4,6H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
InChIKeyIKGCMIQIIIIMSH-JTQLQIEISA-N
MW321.36 g/mol
LogP1.90
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 99872802) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID99872802
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC[C@@H]2CCCO2)co1)c1ccsc1
InChIInChI=1S/C14H15N3O4S/c18-12(9-3-5-22-8-9)17-14-16-11(7-21-14)13(19)15-6-10-2-1-4-20-10/h3,5,7-8,10H,1-2,4,6H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
InChIKeyIKGCMIQIIIIMSH-JTQLQIEISA-N
XLogP1.90
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527
N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 71894849
N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 58979589
N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842591
2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3808934
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide (CID 99872802) is N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NC[C@@H]2CCCO2)co1)c1ccsc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is IKGCMIQIIIIMSH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O4S/c18-12(9-3-5-22-8-9)17-14-16-11(7-21-14)13(19)15-6-10-2-1-4-20-10/h3,5,7-8,10H,1-2,4,6H2,(H,15,19)(H,16,17,18)/t10-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99872802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).