5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide

C13H14ClN3O3S — CID 120943202

IUPAC5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H14ClN3O3S/c14-12-2-1-11(21-12)10-3-8(17-20-10)13(19)16-5-7-4-15-6-9(7)18/h1-3,7,9,15,18H,4-6H2,(H,16,19)
InChIKeyKAONKFDJGCZVLY-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.37
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 120943202) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID120943202
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H14ClN3O3S/c14-12-2-1-11(21-12)10-3-8(17-20-10)13(19)16-5-7-4-15-6-9(7)18/h1-3,7,9,15,18H,4-6H2,(H,16,19)
InChIKeyKAONKFDJGCZVLY-UHFFFAOYSA-N
XLogP1.37
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 120943202) is 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CNCC1O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KAONKFDJGCZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c14-12-2-1-11(21-12)10-3-8(17-20-10)13(19)16-5-7-4-15-6-9(7)18/h1-3,7,9,15,18H,4-6H2,(H,16,19).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120943202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).