N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C22H36N4O3 — CID 170512213

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 170512213) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 170512213
• Molecular Formula: C22H36N4O3
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.28
• IUPAC Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1noc(C)c1C(=O)NC[C@@H]1CC[C@H](CC(=O)NCC(C)C)N1CC1CC1
• InChI: InChI=1S/C22H36N4O3/c1-5-19-21(15(4)29-25-19)22(28)24-12-18-9-8-17(26(18)13-16-6-7-16)10-20(27)23-11-14(2)3/h14,16-18H,5-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+/m1/s1
• InChIKey: YHOGQLPHARIVKD-MSOLQXFVSA-N
• XLogP: 2.68
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 170512213) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC[C@@H]1CC[C@H](CC(=O)NCC(C)C)N1CC1CC1.

What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is YHOGQLPHARIVKD-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-5-19-21(15(4)29-25-19)22(28)24-12-18-9-8-17(26(18)13-16-6-7-16)10-20(27)23-11-14(2)3/h14,16-18H,5-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+/m1/s1.

What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 170512213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).