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

C18H29N3O3 — CID 67953297

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CCOCC2)no1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)15-11-16(20-24-15)19-17(22)14-5-4-8-21(14)12-13-6-9-23-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyMJWPRTWQVZSUCI-AWEZNQCLSA-N
MW335.45 g/mol
LogP2.80
Rot. Bonds4

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

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 67953297) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID67953297
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CCOCC2)no1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)15-11-16(20-24-15)19-17(22)14-5-4-8-21(14)12-13-6-9-23-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyMJWPRTWQVZSUCI-AWEZNQCLSA-N
XLogP2.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 67953297) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CCOCC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MJWPRTWQVZSUCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)15-11-16(20-24-15)19-17(22)14-5-4-8-21(14)12-13-6-9-23-10-7-13/h11,13-14H,4-10,12H2,1-3H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).