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

C19H17N3O5 — CID 9451869

IUPAC[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)c2cccnc2Oc2ccccc2)no1
InChIInChI=1S/C19H17N3O5/c1-12-11-16(22-27-12)21-17(23)13(2)25-19(24)15-9-6-10-20-18(15)26-14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m1/s1
InChIKeyYZXFDXZYOCRBFY-CYBMUJFWSA-N
MW367.36 g/mol
LogP3.35
Rot. Bonds6

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

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate (PubChem CID 9451869) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
PubChem CID9451869
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)c2cccnc2Oc2ccccc2)no1
InChIInChI=1S/C19H17N3O5/c1-12-11-16(22-27-12)21-17(23)13(2)25-19(24)15-9-6-10-20-18(15)26-14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m1/s1
InChIKeyYZXFDXZYOCRBFY-CYBMUJFWSA-N
XLogP3.35
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 41013621
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 41323395
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 8741122
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306877
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 41272031
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] 3,5-dimethylbenzoate
CID 41013626
[(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
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-phenoxybenzoate
CID 55475500
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8679224

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate (CID 9451869) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate is Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccnc2Oc2ccccc2)no1.
What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is YZXFDXZYOCRBFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-12-11-16(22-27-12)21-17(23)13(2)25-19(24)15-9-6-10-20-18(15)26-14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate?
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 3.35, 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] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 9451869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).