2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C21H29N5O3 — CID 171389370

IUPAC2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)NCc3ccccn3)N2C)o1
InChIInChI=1S/C21H29N5O3/c1-4-19-25-14(2)20(29-19)21(28)24-13-17-9-8-16(26(17)3)11-18(27)23-12-15-7-5-6-10-22-15/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3,(H,23,27)(H,24,28)/t16-,17+/m1/s1
InChIKeyZRWUVLVWZMWSQW-SJORKVTESA-N
MW399.50 g/mol
LogP1.84
Rot. Bonds8

About 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 171389370) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID171389370
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)NCc3ccccn3)N2C)o1
InChIInChI=1S/C21H29N5O3/c1-4-19-25-14(2)20(29-19)21(28)24-13-17-9-8-16(26(17)3)11-18(27)23-12-15-7-5-6-10-22-15/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3,(H,23,27)(H,24,28)/t16-,17+/m1/s1
InChIKeyZRWUVLVWZMWSQW-SJORKVTESA-N
XLogP1.84
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171389277
N-[[(2S,5R)-5-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 171386796
N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 171386975
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 166622994
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
CID 165427598
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612
2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131925944
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
N-[[(2S,5R)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 171388121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 171389370) is 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC[C@@H]2CC[C@H](CC(=O)NCc3ccccn3)N2C)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZRWUVLVWZMWSQW-SJORKVTESA-N. The full InChI is InChI=1S/C21H29N5O3/c1-4-19-25-14(2)20(29-19)21(28)24-13-17-9-8-16(26(17)3)11-18(27)23-12-15-7-5-6-10-22-15/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3,(H,23,27)(H,24,28)/t16-,17+/m1/s1.
What are the key properties of 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 171389370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).