3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide

C21H27N3O4 — CID 110626179

IUPAC3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-14-16(18(23-28-14)21(2,3)4)19(25)22-17(15-8-6-5-7-9-15)20(26)24-10-12-27-13-11-24/h5-9,17H,10-13H2,1-4H3,(H,22,25)
InChIKeyJKOZYBYTIXNQMB-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.61
Rot. Bonds4

About 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110626179) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID110626179
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-14-16(18(23-28-14)21(2,3)4)19(25)22-17(15-8-6-5-7-9-15)20(26)24-10-12-27-13-11-24/h5-9,17H,10-13H2,1-4H3,(H,22,25)
InChIKeyJKOZYBYTIXNQMB-UHFFFAOYSA-N
XLogP2.61
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110626186
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 18199540
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide (CID 110626179) is 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JKOZYBYTIXNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-16(18(23-28-14)21(2,3)4)19(25)22-17(15-8-6-5-7-9-15)20(26)24-10-12-27-13-11-24/h5-9,17H,10-13H2,1-4H3,(H,22,25).
What are the key properties of 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110626179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).