ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate

C17H18N2O3 — CID 166301274

IUPACethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2c3ccccc3C3CC2C3)o1
InChIInChI=1S/C17H18N2O3/c1-2-21-16(20)14-9-18-17(22-14)19-15-11-7-10(8-11)12-5-3-4-6-13(12)15/h3-6,9-11,15H,2,7-8H2,1H3,(H,18,19)
InChIKeyDDWXBIVFGHBGRY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate

ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate (PubChem CID 166301274) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate
PubChem CID166301274
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2c3ccccc3C3CC2C3)o1
InChIInChI=1S/C17H18N2O3/c1-2-21-16(20)14-9-18-17(22-14)19-15-11-7-10(8-11)12-5-3-4-6-13(12)15/h3-6,9-11,15H,2,7-8H2,1H3,(H,18,19)
InChIKeyDDWXBIVFGHBGRY-UHFFFAOYSA-N
XLogP3.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(1R,3S)-3-(hydroxymethyl)cyclohexyl]amino]-1,3-oxazole-5-carboxylate
CID 166302642
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 158434340
ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
CID 175325734
ethyl 2-formyl-1,3-oxazole-5-carboxylate
CID 119087702
ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
CID 166301269
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate
CID 67679226
ethyl 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55692395
ethyl 2-[4-[(2R)-2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propyl]anilino]-1,3-oxazole-5-carboxylate
CID 146485150
ethyl 2-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-5-carboxylate
CID 155969936

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate (CID 166301274) is ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(NC2c3ccccc3C3CC2C3)o1.
What is the InChIKey of ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate?
The InChIKey is DDWXBIVFGHBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-21-16(20)14-9-18-17(22-14)19-15-11-7-10(8-11)12-5-3-4-6-13(12)15/h3-6,9-11,15H,2,7-8H2,1H3,(H,18,19).
What are the key properties of ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate?
ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylamino)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 166301274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).