ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate

C19H29N3O4 — CID 93070371

IUPACethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)N2CCC[C@H]2c2cc(C)on2)CCCCC1
InChIInChI=1S/C19H29N3O4/c1-3-25-17(23)13-19(9-5-4-6-10-19)20-18(24)22-11-7-8-16(22)15-12-14(2)26-21-15/h12,16H,3-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyGJPSSLXODMWHTD-INIZCTEOSA-N
MW363.46 g/mol
LogP3.49
Rot. Bonds5

About ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate

ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate (PubChem CID 93070371) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
PubChem CID93070371
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)N2CCC[C@H]2c2cc(C)on2)CCCCC1
InChIInChI=1S/C19H29N3O4/c1-3-25-17(23)13-19(9-5-4-6-10-19)20-18(24)22-11-7-8-16(22)15-12-14(2)26-21-15/h12,16H,3-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyGJPSSLXODMWHTD-INIZCTEOSA-N
XLogP3.49
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate with MolForge

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Related Compounds

ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 93072962
ethyl 2-[1-[[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94080920
ethyl 2-[1-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94081052
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate (CID 93070371) is ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)N2CCC[C@H]2c2cc(C)on2)CCCCC1.
What is the InChIKey of ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The InChIKey is GJPSSLXODMWHTD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-3-25-17(23)13-19(9-5-4-6-10-19)20-18(24)22-11-7-8-16(22)15-12-14(2)26-21-15/h12,16H,3-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate has a molecular weight of 363.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 93070371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).