ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate

C21H33N3O4 — CID 93070365

IUPACethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)CC1
InChIInChI=1S/C21H33N3O4/c1-4-27-20(25)16-9-7-15(8-10-16)13-22-21(26)24-11-5-6-18(24)17-12-19(14(2)3)28-23-17/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26)/t15?,16?,18-/m0/s1
InChIKeyGZYLTNSJZGNVAT-HTWSVDAQSA-N
MW391.51 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate

ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 93070365) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID93070365
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Nameethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)CC1
InChIInChI=1S/C21H33N3O4/c1-4-27-20(25)16-9-7-15(8-10-16)13-22-21(26)24-11-5-6-18(24)17-12-19(14(2)3)28-23-17/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26)/t15?,16?,18-/m0/s1
InChIKeyGZYLTNSJZGNVAT-HTWSVDAQSA-N
XLogP4.01
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[[(2R)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 94080915
(2R)-N-cyclohexyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070287
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
(2R)-N-[(3-methoxyphenyl)methyl]-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056302
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001088
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079619
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070319
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
(2S)-N-(4-nitrophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079719

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate (CID 93070365) is ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)CC1.
What is the InChIKey of ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is GZYLTNSJZGNVAT-HTWSVDAQSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-4-27-20(25)16-9-7-15(8-10-16)13-22-21(26)24-11-5-6-18(24)17-12-19(14(2)3)28-23-17/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26)/t15?,16?,18-/m0/s1.
What are the key properties of ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 391.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 93070365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).