[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C23H24N2O4 — CID 8950257

IUPAC[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H24N2O4/c1-14(2)18-12-8-9-13-19(18)24-21(26)16(4)29-23(27)20-15(3)28-22(25-20)17-10-6-5-7-11-17/h5-14,16H,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyGCJVQHHXLZUPEA-MRXNPFEDSA-N
MW392.46 g/mol
LogP4.96
Rot. Bonds6

About [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 8950257) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID8950257
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H24N2O4/c1-14(2)18-12-8-9-13-19(18)24-21(26)16(4)29-23(27)20-15(3)28-22(25-20)17-10-6-5-7-11-17/h5-14,16H,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyGCJVQHHXLZUPEA-MRXNPFEDSA-N
XLogP4.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950375
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CID 8950304
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8882774
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950182
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726785
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 40712351
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42885988
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 41296538
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950136
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 41185300
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 11914270
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 8950257) is [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is GCJVQHHXLZUPEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14(2)18-12-8-9-13-19(18)24-21(26)16(4)29-23(27)20-15(3)28-22(25-20)17-10-6-5-7-11-17/h5-14,16H,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 8950257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).