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

C19H23N3O4 — CID 95985527

IUPAC(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)on1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)15-9-16(26-21-15)20-18(24)14-11-25-12-17(23)22(14)10-13-7-5-4-6-8-13/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyNIYHBSZVNGJGKC-AWEZNQCLSA-N
MW357.41 g/mol
LogP2.34
Rot. Bonds4

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

(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 95985527) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
PubChem CID95985527
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)on1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)15-9-16(26-21-15)20-18(24)14-11-25-12-17(23)22(14)10-13-7-5-4-6-8-13/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyNIYHBSZVNGJGKC-AWEZNQCLSA-N
XLogP2.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide (CID 95985527) is (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)on1.
What is the InChIKey of (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is NIYHBSZVNGJGKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)15-9-16(26-21-15)20-18(24)14-11-25-12-17(23)22(14)10-13-7-5-4-6-8-13/h4-9,14H,10-12H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide?
(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 95985527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).