(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

C23H30N4O4 — CID 93143754

IUPAC(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NN3CCOCC3)no2)c(C)c1
InChIInChI=1S/C23H30N4O4/c1-15-12-16(2)21(17(3)13-15)20-14-18(25-31-20)23(29)27-7-5-4-6-19(27)22(28)24-26-8-10-30-11-9-26/h12-14,19H,4-11H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyUJJIQTIHPHRGNL-IBGZPJMESA-N
MW426.52 g/mol
LogP2.62
Rot. Bonds4

About (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (PubChem CID 93143754) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
PubChem CID93143754
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NN3CCOCC3)no2)c(C)c1
InChIInChI=1S/C23H30N4O4/c1-15-12-16(2)21(17(3)13-15)20-14-18(25-31-20)23(29)27-7-5-4-6-19(27)22(28)24-26-8-10-30-11-9-26/h12-14,19H,4-11H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyUJJIQTIHPHRGNL-IBGZPJMESA-N
XLogP2.62
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 94360991
(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 93140596
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 51069997
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639521
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 32598903
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404371
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404372
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181

Frequently Asked Questions

What is the IUPAC name of (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (CID 93143754) is (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is Cc1cc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NN3CCOCC3)no2)c(C)c1.
What is the InChIKey of (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is UJJIQTIHPHRGNL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-12-16(2)21(17(3)13-15)20-14-18(25-31-20)23(29)27-7-5-4-6-19(27)22(28)24-26-8-10-30-11-9-26/h12-14,19H,4-11H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
(2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-morpholin-4-yl-1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 93143754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).