2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide

C17H26N4O3 — CID 75388720

IUPAC2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1noc(C)c1CCCNC(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C17H26N4O3/c1-11-14(12(2)24-20-11)5-3-9-18-17(23)21-10-4-6-15(21)16(22)19-13-7-8-13/h13,15H,3-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNHXFVHOTVUIYJT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.68
Rot. Bonds6

About 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 75388720) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
PubChem CID75388720
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1noc(C)c1CCCNC(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C17H26N4O3/c1-11-14(12(2)24-20-11)5-3-9-18-17(23)21-10-4-6-15(21)16(22)19-13-7-8-13/h13,15H,3-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNHXFVHOTVUIYJT-UHFFFAOYSA-N
XLogP1.68
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86924416
(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 94038570
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
(2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 126445021
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97139756
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
1-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine;hydroiodide
CID 111975072
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide (CID 75388720) is 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide is Cc1noc(C)c1CCCNC(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is NHXFVHOTVUIYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-14(12(2)24-20-11)5-3-9-18-17(23)21-10-4-6-15(21)16(22)19-13-7-8-13/h13,15H,3-10H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 75388720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).