N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C14H23N3O2 — CID 47001225

IUPACN-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCCC(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-10(2)6-7-15-14(18)17-8-4-5-13(17)12-9-11(3)19-16-12/h9-10,13H,4-8H2,1-3H3,(H,15,18)
InChIKeyPEODSPJEZXKEET-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.88
Rot. Bonds4

About N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47001225) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID47001225
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCCC(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-10(2)6-7-15-14(18)17-8-4-5-13(17)12-9-11(3)19-16-12/h9-10,13H,4-8H2,1-3H3,(H,15,18)
InChIKeyPEODSPJEZXKEET-UHFFFAOYSA-N
XLogP2.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 47001225) is N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)NCCC(C)C)no1.
What is the InChIKey of N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is PEODSPJEZXKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)6-7-15-14(18)17-8-4-5-13(17)12-9-11(3)19-16-12/h9-10,13H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).