[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate

C16H16N2O5 — CID 32557270

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2Cc3ccccc3O2)no1
InChIInChI=1S/C16H16N2O5/c1-9-7-14(18-23-9)17-15(19)10(2)21-16(20)13-8-11-5-3-4-6-12(11)22-13/h3-7,10,13H,8H2,1-2H3,(H,17,18,19)/t10-,13+/m0/s1
InChIKeyQEAYMSRGPZECRG-GXFFZTMASA-N
MW316.31 g/mol
LogP1.86
Rot. Bonds4

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 32557270) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID32557270
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2Cc3ccccc3O2)no1
InChIInChI=1S/C16H16N2O5/c1-9-7-14(18-23-9)17-15(19)10(2)21-16(20)13-8-11-5-3-4-6-12(11)22-13/h3-7,10,13H,8H2,1-2H3,(H,17,18,19)/t10-,13+/m0/s1
InChIKeyQEAYMSRGPZECRG-GXFFZTMASA-N
XLogP1.86
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[(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
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 41323395
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 17397368
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 46619922
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 41480133
[1-(3-methylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 42901766
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24534310
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate (CID 32557270) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate is Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2Cc3ccccc3O2)no1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is QEAYMSRGPZECRG-GXFFZTMASA-N. The full InChI is InChI=1S/C16H16N2O5/c1-9-7-14(18-23-9)17-15(19)10(2)21-16(20)13-8-11-5-3-4-6-12(11)22-13/h3-7,10,13H,8H2,1-2H3,(H,17,18,19)/t10-,13+/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 32557270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).