5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C15H19N5O3 — CID 129000044

IUPAC5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2noc3c2CCCC3)n1
InChIInChI=1S/C15H19N5O3/c16-13(21)14-17-15(23-19-14)11-5-3-7-20(11)8-10-9-4-1-2-6-12(9)22-18-10/h11H,1-8H2,(H2,16,21)
InChIKeyTUAQNXOTJIOMGH-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.37
Rot. Bonds4

About 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129000044) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129000044
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2noc3c2CCCC3)n1
InChIInChI=1S/C15H19N5O3/c16-13(21)14-17-15(23-19-14)11-5-3-7-20(11)8-10-9-4-1-2-6-12(9)22-18-10/h11H,1-8H2,(H2,16,21)
InChIKeyTUAQNXOTJIOMGH-UHFFFAOYSA-N
XLogP1.37
TPSA111.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999887
5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341141
5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339448
5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330570
5-[1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999920
5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336714
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039
5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331783
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927
5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000127
5-[1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 119034418

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129000044) is 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2Cc2noc3c2CCCC3)n1.
What is the InChIKey of 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is TUAQNXOTJIOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c16-13(21)14-17-15(23-19-14)11-5-3-7-20(11)8-10-9-4-1-2-6-12(9)22-18-10/h11H,1-8H2,(H2,16,21).
What are the key properties of 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129000044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).