[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C19H16ClN3O4 — CID 42885988

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O4/c1-11-16(23-18(26-11)13-6-4-3-5-7-13)19(25)27-12(2)17(24)22-15-9-8-14(20)10-21-15/h3-10,12H,1-2H3,(H,21,22,24)
InChIKeyBSRPYCDQZHHLPK-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.88
Rot. Bonds5

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 42885988) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID42885988
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O4/c1-11-16(23-18(26-11)13-6-4-3-5-7-13)19(25)27-12(2)17(24)22-15-9-8-14(20)10-21-15/h3-10,12H,1-2H3,(H,21,22,24)
InChIKeyBSRPYCDQZHHLPK-UHFFFAOYSA-N
XLogP3.88
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950304
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950375
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648454
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950257
[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 33135973
[(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
[(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
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 27057001
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-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 [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 42885988) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is BSRPYCDQZHHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-11-16(23-18(26-11)13-6-4-3-5-7-13)19(25)27-12(2)17(24)22-15-9-8-14(20)10-21-15/h3-10,12H,1-2H3,(H,21,22,24).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 385.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 42885988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).