1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C14H21N3O3 — CID 138035616

IUPAC1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncoc1CNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H21N3O3/c1-9-11(20-8-16-9)6-15-13(19)10-5-12(18)17(7-10)14(2,3)4/h8,10H,5-7H2,1-4H3,(H,15,19)
InChIKeyXYFYLZWODYKLKX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.25
Rot. Bonds3

About 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 138035616) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID138035616
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncoc1CNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C14H21N3O3/c1-9-11(20-8-16-9)6-15-13(19)10-5-12(18)17(7-10)14(2,3)4/h8,10H,5-7H2,1-4H3,(H,15,19)
InChIKeyXYFYLZWODYKLKX-UHFFFAOYSA-N
XLogP1.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97139756
1-tert-butyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70756271
(3R)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438277
(3S)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438279
1-tert-butyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70778524
N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 83631129
(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 9352503
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92613351

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 138035616) is 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ncoc1CNC(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XYFYLZWODYKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-11(20-8-16-9)6-15-13(19)10-5-12(18)17(7-10)14(2,3)4/h8,10H,5-7H2,1-4H3,(H,15,19).
What are the key properties of 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138035616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).