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

C20H25N3O4 — CID 95079952

IUPACethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-26-19(24)14-7-9-15(10-8-14)21-20(25)23-11-5-6-17(23)18-12-16(13(2)3)22-27-18/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyFNXXFCHQKHGPLN-KRWDZBQOSA-N
MW371.44 g/mol
LogP4.34
Rot. Bonds5

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

ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (PubChem CID 95079952) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
PubChem CID95079952
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-26-19(24)14-7-9-15(10-8-14)21-20(25)23-11-5-6-17(23)18-12-16(13(2)3)22-27-18/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyFNXXFCHQKHGPLN-KRWDZBQOSA-N
XLogP4.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079858
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079928
(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95079977
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
(2R)-N-(2-ethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079965
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (CID 95079952) is ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1.
What is the InChIKey of ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The InChIKey is FNXXFCHQKHGPLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-26-19(24)14-7-9-15(10-8-14)21-20(25)23-11-5-6-17(23)18-12-16(13(2)3)22-27-18/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,25)/t17-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate has a molecular weight of 371.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 95079952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).