5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C17H24N4O4 — CID 97119910

IUPAC5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2
InChIInChI=1S/C17H24N4O4/c1-17(2,3)21-8-10(7-13(21)22)16(24)20-6-5-12-11(9-20)14(19-25-12)15(23)18-4/h10H,5-9H2,1-4H3,(H,18,23)/t10-/m0/s1
InChIKeySMVAYHYWVFAKPW-JTQLQIEISA-N
MW348.40 g/mol
LogP0.57
Rot. Bonds2

About 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 97119910) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID97119910
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2
InChIInChI=1S/C17H24N4O4/c1-17(2,3)21-8-10(7-13(21)22)16(24)20-6-5-12-11(9-20)14(19-25-12)15(23)18-4/h10H,5-9H2,1-4H3,(H,18,23)/t10-/m0/s1
InChIKeySMVAYHYWVFAKPW-JTQLQIEISA-N
XLogP0.57
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97112365
5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 70786476
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
1-tert-butyl-4-[4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546247
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-tert-butyl-4-[4-(2-ethylbutanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546262
1-tert-butyl-4-[4-(2-methoxyacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546277
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97116376

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 97119910) is 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CNC(=O)c1noc2c1CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2.
What is the InChIKey of 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is SMVAYHYWVFAKPW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24N4O4/c1-17(2,3)21-8-10(7-13(21)22)16(24)20-6-5-12-11(9-20)14(19-25-12)15(23)18-4/h10H,5-9H2,1-4H3,(H,18,23)/t10-/m0/s1.
What are the key properties of 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 97119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).