N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C16H20N4O2S — CID 167746254

IUPACN-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1cc(CN2CCC(NC(=O)c3cc4n(n3)CCO4)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-6-12(10-23-11)8-19-3-2-13(9-19)17-16(21)14-7-15-20(18-14)4-5-22-15/h6-7,10,13H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyJXJWXQRCPAUOCB-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.65
Rot. Bonds4

About N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167746254) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167746254
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1cc(CN2CCC(NC(=O)c3cc4n(n3)CCO4)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-6-12(10-23-11)8-19-3-2-13(9-19)17-16(21)14-7-15-20(18-14)4-5-22-15/h6-7,10,13H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyJXJWXQRCPAUOCB-UHFFFAOYSA-N
XLogP1.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136543535
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959836
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167746254) is N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1cc(CN2CCC(NC(=O)c3cc4n(n3)CCO4)C2)cs1.
What is the InChIKey of N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is JXJWXQRCPAUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-6-12(10-23-11)8-19-3-2-13(9-19)17-16(21)14-7-15-20(18-14)4-5-22-15/h6-7,10,13H,2-5,8-9H2,1H3,(H,17,21).
What are the key properties of N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167746254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).