[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H26N2O4 — CID 8847596

IUPAC[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)CCC(C)C
InChIInChI=1S/C20H26N2O4/c1-13(2)10-11-14(3)21-17(23)12-25-20(24)18-15(4)26-22-19(18)16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyQLLWXHKOXAAWGE-CQSZACIVSA-N
MW358.44 g/mol
LogP3.75
Rot. Bonds8

About [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 8847596) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID8847596
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)CCC(C)C
InChIInChI=1S/C20H26N2O4/c1-13(2)10-11-14(3)21-17(23)12-25-20(24)18-15(4)26-22-19(18)16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyQLLWXHKOXAAWGE-CQSZACIVSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614483
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CID 7581384
[2-oxo-2-(2-phenylpropylamino)ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505272
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581407
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581443
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4828943
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7715359
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
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[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570747
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235300
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 8847596) is [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)CCC(C)C.
What is the InChIKey of [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is QLLWXHKOXAAWGE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13(2)10-11-14(3)21-17(23)12-25-20(24)18-15(4)26-22-19(18)16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 8847596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).