4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C11H11N3O2 — CID 66598652

IUPAC4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)9-8(12)10(11(13)15)16-14-9/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyXWRBWHDMAWDWBI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds2

About 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 66598652) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID66598652
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)9-8(12)10(11(13)15)16-14-9/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyXWRBWHDMAWDWBI-UHFFFAOYSA-N
XLogP1.33
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
CID 75359365
1-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]ethanone
CID 131513513
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
4-methyl-3,5-bis(4-methylphenyl)-1,2-oxazole
CID 19585809
4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid
CID 53367371
5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 57051904
1-[5-acetyl-3-(4-methylphenyl)-4,6-dihydrocyclopenta[d][1,2]oxazol-5-yl]ethanone
CID 10755413
5-methyl-6-(4-methylphenyl)-3-phenylpyridazine-4-carboxamide
CID 175967812
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(4-chloro-3-methylbutan-2-yl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 91304852
3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16790066

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 66598652) is 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2noc(C(N)=O)c2N)cc1.
What is the InChIKey of 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is XWRBWHDMAWDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)9-8(12)10(11(13)15)16-14-9/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66598652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).