[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C20H18N2O6 — CID 8951023

IUPAC[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)o2)cc1
InChIInChI=1S/C20H18N2O6/c1-11-10-18(22-28-11)21-19(24)13(3)26-20(25)17-9-8-16(27-17)15-6-4-14(5-7-15)12(2)23/h4-10,13H,1-3H3,(H,21,22,24)/t13-/m1/s1
InChIKeyQELSVSOKMKEQEP-CYBMUJFWSA-N
MW382.37 g/mol
LogP3.63
Rot. Bonds6

About [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 8951023) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID8951023
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)o2)cc1
InChIInChI=1S/C20H18N2O6/c1-11-10-18(22-28-11)21-19(24)13(3)26-20(25)17-9-8-16(27-17)15-6-4-14(5-7-15)12(2)23/h4-10,13H,1-3H3,(H,21,22,24)/t13-/m1/s1
InChIKeyQELSVSOKMKEQEP-CYBMUJFWSA-N
XLogP3.63
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 17480605
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950941
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 8988220
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727975
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950966
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386445
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950868

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 8951023) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)o2)cc1.
What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is QELSVSOKMKEQEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-11-10-18(22-28-11)21-19(24)13(3)26-20(25)17-9-8-16(27-17)15-6-4-14(5-7-15)12(2)23/h4-10,13H,1-3H3,(H,21,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 8951023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).