3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide

C21H28N4O2 — CID 25265092

IUPAC3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-14-5-4-11-25(14)19-10-12-24(13-19)18-8-6-17(7-9-18)22-21(26)20-15(2)23-27-16(20)3/h6-9,14,19H,4-5,10-13H2,1-3H3,(H,22,26)
InChIKeyQRBMQEJZPMHHQG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.61
Rot. Bonds4

About 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 25265092) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID25265092
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-14-5-4-11-25(14)19-10-12-24(13-19)18-8-6-17(7-9-18)22-21(26)20-15(2)23-27-16(20)3/h6-9,14,19H,4-5,10-13H2,1-3H3,(H,22,26)
InChIKeyQRBMQEJZPMHHQG-UHFFFAOYSA-N
XLogP3.61
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide (CID 25265092) is 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is QRBMQEJZPMHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-5-4-11-25(14)19-10-12-24(13-19)18-8-6-17(7-9-18)22-21(26)20-15(2)23-27-16(20)3/h6-9,14,19H,4-5,10-13H2,1-3H3,(H,22,26).
What are the key properties of 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25265092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).