(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

C20H27N3O5 — CID 95079977

IUPAC(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-12(2)14-11-16(28-22-14)15-7-6-8-23(15)20(24)21-13-9-17(25-3)19(27-5)18(10-13)26-4/h9-12,15H,6-8H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyKKYZTIYXRJMWHD-HNNXBMFYSA-N
MW389.45 g/mol
LogP4.19
Rot. Bonds6

About (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 95079977) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID95079977
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-12(2)14-11-16(28-22-14)15-7-6-8-23(15)20(24)21-13-9-17(25-3)19(27-5)18(10-13)26-4/h9-12,15H,6-8H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyKKYZTIYXRJMWHD-HNNXBMFYSA-N
XLogP4.19
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079858
methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079905
N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079952
(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
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2R)-N-(2-ethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (CID 95079977) is (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KKYZTIYXRJMWHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-12(2)14-11-16(28-22-14)15-7-6-8-23(15)20(24)21-13-9-17(25-3)19(27-5)18(10-13)26-4/h9-12,15H,6-8H2,1-5H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).