[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate

C24H32N4O5 — CID 146357861

IUPAC[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate
SMILESCCCNC(=O)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cc(C)no1)c1ccc(C)cc1
InChIInChI=1S/C24H32N4O5/c1-4-11-25-24(31)32-15-20(18-9-7-16(2)8-10-18)26-23(30)21-6-5-12-28(21)22(29)14-19-13-17(3)27-33-19/h7-10,13,20-21H,4-6,11-12,14-15H2,1-3H3,(H,25,31)(H,26,30)/t20-,21-/m0/s1
InChIKeyNAVOFMWHRWJMNT-SFTDATJTSA-N
MW456.54 g/mol
LogP2.82
Rot. Bonds9

About [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate

[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate (PubChem CID 146357861) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate.

Molecular Properties

Compound Name[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate
PubChem CID146357861
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate
SMILESCCCNC(=O)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cc(C)no1)c1ccc(C)cc1
InChIInChI=1S/C24H32N4O5/c1-4-11-25-24(31)32-15-20(18-9-7-16(2)8-10-18)26-23(30)21-6-5-12-28(21)22(29)14-19-13-17(3)27-33-19/h7-10,13,20-21H,4-6,11-12,14-15H2,1-3H3,(H,25,31)(H,26,30)/t20-,21-/m0/s1
InChIKeyNAVOFMWHRWJMNT-SFTDATJTSA-N
XLogP2.82
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
CID 142573256
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357842
(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 155026976
N-[[4-(2-imino-4-oxopentan-3-yl)phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123312848
N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358308
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146357956
1-[2-[3-(1-formylazetidin-3-yl)oxy-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170049149
(2S)-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[2-(1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 156729153

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate?
The IUPAC name of [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate (CID 146357861) is [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate.
What is the SMILES notation for [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate?
The canonical SMILES for [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate is CCCNC(=O)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cc(C)no1)c1ccc(C)cc1.
What is the InChIKey of [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate?
The InChIKey is NAVOFMWHRWJMNT-SFTDATJTSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-4-11-25-24(31)32-15-20(18-9-7-16(2)8-10-18)26-23(30)21-6-5-12-28(21)22(29)14-19-13-17(3)27-33-19/h7-10,13,20-21H,4-6,11-12,14-15H2,1-3H3,(H,25,31)(H,26,30)/t20-,21-/m0/s1.
What are the key properties of [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate?
[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate has a molecular weight of 456.54 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate is sourced from PubChem (CID 146357861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).