(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H27N3O3 — CID 67953298

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyFWARWBPCFONFSB-ZDUSSCGKSA-N
MW321.42 g/mol
LogP2.55
Rot. Bonds3

About (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 67953298) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID67953298
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyFWARWBPCFONFSB-ZDUSSCGKSA-N
XLogP2.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 67953298) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FWARWBPCFONFSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).