4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

C17H15N3O4S — CID 72857542

IUPAC4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)c2cc(-c3ccccc3)on2)sc1C(=O)O
InChIInChI=1S/C17H15N3O4S/c1-10-15(17(22)23)25-14(19-10)7-8-18-16(21)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,21)(H,22,23)
InChIKeyZPPGCNYMJWTZPC-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.78
Rot. Bonds6

About 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 72857542) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID72857542
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)c2cc(-c3ccccc3)on2)sc1C(=O)O
InChIInChI=1S/C17H15N3O4S/c1-10-15(17(22)23)25-14(19-10)7-8-18-16(21)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,21)(H,22,23)
InChIKeyZPPGCNYMJWTZPC-UHFFFAOYSA-N
XLogP2.78
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 72857542) is 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CCNC(=O)c2cc(-c3ccccc3)on2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZPPGCNYMJWTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-10-15(17(22)23)25-14(19-10)7-8-18-16(21)12-9-13(24-20-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 72857542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).