(2-aminophenyl)-(1,3-oxazol-5-yl)methanone

C10H8N2O2 — CID 130056733

IUPAC(2-aminophenyl)-(1,3-oxazol-5-yl)methanone
SMILESNc1ccccc1C(=O)c1cnco1
InChIInChI=1S/C10H8N2O2/c11-8-4-2-1-3-7(8)10(13)9-5-12-6-14-9/h1-6H,11H2
InChIKeyRCOAGTDTHDOIPP-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.49
Rot. Bonds2

About (2-aminophenyl)-(1,3-oxazol-5-yl)methanone

(2-aminophenyl)-(1,3-oxazol-5-yl)methanone (PubChem CID 130056733) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (2-aminophenyl)-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(1,3-oxazol-5-yl)methanone
PubChem CID130056733
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(2-aminophenyl)-(1,3-oxazol-5-yl)methanone
SMILESNc1ccccc1C(=O)c1cnco1
InChIInChI=1S/C10H8N2O2/c11-8-4-2-1-3-7(8)10(13)9-5-12-6-14-9/h1-6H,11H2
InChIKeyRCOAGTDTHDOIPP-UHFFFAOYSA-N
XLogP1.49
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,3-oxazol-5-yl(phenyl)methanone
CID 11701120
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
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(2-aminophenyl)-phenylmethanone
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(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2-(2-aminobenzoyl)benzoate
CID 6919456
(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone
CID 67755647
bis(2-aminobenzoic acid);nickel
CID 73156847
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzoate
CID 5459842
CID 172796646
CID 172796646
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(1,3-oxazol-5-yl)methanone?
The IUPAC name of (2-aminophenyl)-(1,3-oxazol-5-yl)methanone (CID 130056733) is (2-aminophenyl)-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(1,3-oxazol-5-yl)methanone is Nc1ccccc1C(=O)c1cnco1.
What is the InChIKey of (2-aminophenyl)-(1,3-oxazol-5-yl)methanone?
The InChIKey is RCOAGTDTHDOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-8-4-2-1-3-7(8)10(13)9-5-12-6-14-9/h1-6H,11H2.
What are the key properties of (2-aminophenyl)-(1,3-oxazol-5-yl)methanone?
(2-aminophenyl)-(1,3-oxazol-5-yl)methanone has a molecular weight of 188.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 130056733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).