(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C19H22FN3O3 — CID 67953414

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-11-9-12(5-6-13(11)20)23-14(7-8-17(23)24)18(25)21-16-10-15(26-22-16)19(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,21,22,25)/t14-/m0/s1
InChIKeyQLUXUVBOXBNAEM-AWEZNQCLSA-N
MW359.40 g/mol
LogP3.55
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 67953414) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID67953414
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-11-9-12(5-6-13(11)20)23-14(7-8-17(23)24)18(25)21-16-10-15(26-22-16)19(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,21,22,25)/t14-/m0/s1
InChIKeyQLUXUVBOXBNAEM-AWEZNQCLSA-N
XLogP3.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953391
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318
(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
(2S)-N-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953914
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953364
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
CID 67953708
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
tert-butyl 3-[2-[[1-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carbonyl]amino]-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]pyrrolidine-1-carboxylate
CID 175251520

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 67953414) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(N2C(=O)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)ccc1F.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QLUXUVBOXBNAEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-11-9-12(5-6-13(11)20)23-14(7-8-17(23)24)18(25)21-16-10-15(26-22-16)19(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,21,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67953414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).