5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide

C13H14ClN3O2S — CID 119510511

IUPAC5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)10-6-9(17-19-10)13(18)16-7-8-2-1-5-15-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,18)
InChIKeyNNVUWYQIHNCNLO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.54
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 119510511) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID119510511
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)10-6-9(17-19-10)13(18)16-7-8-2-1-5-15-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,18)
InChIKeyNNVUWYQIHNCNLO-UHFFFAOYSA-N
XLogP2.54
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119513121
5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 120943202
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119510760
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
N-[2-(aminomethyl)cyclohexyl]-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609678
5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120888871
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543271
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 119510511) is 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCCN1)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NNVUWYQIHNCNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-12-4-3-11(20-12)10-6-9(17-19-10)13(18)16-7-8-2-1-5-15-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,18).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).