5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide

C16H18ClN3O3S — CID 45250395

IUPAC5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C16H18ClN3O3S/c1-18-16(22)13-6-5-12(24-13)11-3-2-8-20(11)15(21)7-4-10-9-14(17)19-23-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyUQJCQXWNOVVQEL-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.05
Rot. Bonds5

About 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide

5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide (PubChem CID 45250395) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
PubChem CID45250395
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C16H18ClN3O3S/c1-18-16(22)13-6-5-12(24-13)11-3-2-8-20(11)15(21)7-4-10-9-14(17)19-23-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyUQJCQXWNOVVQEL-UHFFFAOYSA-N
XLogP3.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124986328
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45220874
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 124958863
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 72939461

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide (CID 45250395) is 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1.
What is the InChIKey of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is UQJCQXWNOVVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-18-16(22)13-6-5-12(24-13)11-3-2-8-20(11)15(21)7-4-10-9-14(17)19-23-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,18,22).
What are the key properties of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 45250395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).