N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide

C20H25N3O3 — CID 52513124

IUPACN-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCc1cc([C@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)no1
InChIInChI=1S/C20H25N3O3/c1-13-12-16(22-26-13)17-6-5-11-23(17)19(25)15-9-7-14(8-10-15)18(24)21-20(2,3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyKKHBXVQZFKKLNU-QGZVFWFLSA-N
MW355.44 g/mol
LogP3.49
Rot. Bonds3

About N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide

N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide (PubChem CID 52513124) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
PubChem CID52513124
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCc1cc([C@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)no1
InChIInChI=1S/C20H25N3O3/c1-13-12-16(22-26-13)17-6-5-11-23(17)19(25)15-9-7-14(8-10-15)18(24)21-20(2,3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyKKHBXVQZFKKLNU-QGZVFWFLSA-N
XLogP3.49
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
CID 51113101
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
1-[6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413350
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
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 56808405
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide (CID 52513124) is N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide is Cc1cc([C@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)no1.
What is the InChIKey of N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide?
The InChIKey is KKHBXVQZFKKLNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-12-16(22-26-13)17-6-5-11-23(17)19(25)15-9-7-14(8-10-15)18(24)21-20(2,3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide?
N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 52513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).