5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide

C17H27N3O2 — CID 102602881

IUPAC5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC2(N3CCCC3)CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-2-7-14-12-15(19-22-14)16(21)18-13-17(8-3-4-9-17)20-10-5-6-11-20/h12H,2-11,13H2,1H3,(H,18,21)
InChIKeyLDVGJPYVAHATJV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.77
Rot. Bonds6

About 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide

5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 102602881) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID102602881
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC2(N3CCCC3)CCCC2)no1
InChIInChI=1S/C17H27N3O2/c1-2-7-14-12-15(19-22-14)16(21)18-13-17(8-3-4-9-17)20-10-5-6-11-20/h12H,2-11,13H2,1H3,(H,18,21)
InChIKeyLDVGJPYVAHATJV-UHFFFAOYSA-N
XLogP2.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
CID 91771967
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 119041699
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113294761
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160
2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
CID 131930346
N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide
CID 42240965
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30731594

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide (CID 102602881) is 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCC2(N3CCCC3)CCCC2)no1.
What is the InChIKey of 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LDVGJPYVAHATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-7-14-12-15(19-22-14)16(21)18-13-17(8-3-4-9-17)20-10-5-6-11-20/h12H,2-11,13H2,1H3,(H,18,21).
What are the key properties of 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide?
5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).