2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate

C19H20N2O3 — CID 175392819

IUPAC2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
SMILESCC(C)(N)OC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H20N2O3/c1-18(2,20)23-17(22)16-13-19(24-21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,20H2,1-2H3
InChIKeyJVEJBQTUCBMVHL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.94
Rot. Bonds4

About 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate

2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate (PubChem CID 175392819) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
PubChem CID175392819
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
SMILESCC(C)(N)OC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H20N2O3/c1-18(2,20)23-17(22)16-13-19(24-21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,20H2,1-2H3
InChIKeyJVEJBQTUCBMVHL-UHFFFAOYSA-N
XLogP2.94
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
CID 161249759
ethyl 5-hydroxy-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 131845862
5-cyclohexa-1,5-dien-1-yl-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
CID 88992915
S-benzyl N-ethyl-N-(3-methylbutan-2-yl)carbamothioate;5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
CID 87380016
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine;5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
CID 87379801
ethyl 6-phenyl-6-trimethylsilyloxy-4,5-dihydrooxazine-3-carboxylate
CID 14688503
5,5-diphenyl-4H-1,2-oxazole-3-carbaldehyde
CID 87113223
sodium;ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate;(1Z)-3-methoxy-N-(4-methoxycarbonyl-2-methylthiophen-3-yl)sulfonyl-4-methyl-5-oxo-1,2,4-triazole-1-carboximidate
CID 23665546
tert-butyl (1'S,5S,6'R)-5'-oxospiro[4H-1,2-oxazole-5,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3-carboxylate
CID 15474022
methyl 3-benzoyl-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 122396309
2-hydroxyethyl 5-methyl-2,2-diphenyl-3H-furan-4-carboxylate
CID 10496201

Frequently Asked Questions

What is the IUPAC name of 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The IUPAC name of 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate (CID 175392819) is 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate.
What is the SMILES notation for 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The canonical SMILES for 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is CC(C)(N)OC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
The InChIKey is JVEJBQTUCBMVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-18(2,20)23-17(22)16-13-19(24-21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,20H2,1-2H3.
What are the key properties of 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 175392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).