N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C14H22N4O3 — CID 113192494

IUPACN-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCCCN(C)C)CC2=O)no1
InChIInChI=1S/C14H22N4O3/c1-10-7-12(16-21-10)18-9-11(8-13(18)19)14(20)15-5-4-6-17(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,15,20)
InChIKeyGQELQWAIWDCQAQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.40
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192494) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192494
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCCCN(C)C)CC2=O)no1
InChIInChI=1S/C14H22N4O3/c1-10-7-12(16-21-10)18-9-11(8-13(18)19)14(20)15-5-4-6-17(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,15,20)
InChIKeyGQELQWAIWDCQAQ-UHFFFAOYSA-N
XLogP0.40
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192503
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192507
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192481
1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 113188046
N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
1-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192567
N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190476
N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78781061
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192494) is N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NCCCN(C)C)CC2=O)no1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GQELQWAIWDCQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-7-12(16-21-10)18-9-11(8-13(18)19)14(20)15-5-4-6-17(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,15,20).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).