(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate

C19H21NO3 — CID 11932885

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H21NO3/c21-19(10-16-9-13-6-7-15(16)8-13)22-12-18-20-11-17(23-18)14-4-2-1-3-5-14/h1-5,11,13,15-16H,6-10,12H2/t13-,15+,16-/m0/s1
InChIKeyLMCFTLWUWMJXSJ-IMJJTQAJSA-N
MW311.38 g/mol
LogP4.21
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 11932885) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID11932885
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H21NO3/c21-19(10-16-9-13-6-7-15(16)8-13)22-12-18-20-11-17(23-18)14-4-2-1-3-5-14/h1-5,11,13,15-16H,6-10,12H2/t13-,15+,16-/m0/s1
InChIKeyLMCFTLWUWMJXSJ-IMJJTQAJSA-N
XLogP4.21
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate with MolForge

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937894
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174582
(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate
CID 8519620
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175092
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11930640
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11925508
(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 71913282
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate (CID 11932885) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is LMCFTLWUWMJXSJ-IMJJTQAJSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(10-16-9-13-6-7-15(16)8-13)22-12-18-20-11-17(23-18)14-4-2-1-3-5-14/h1-5,11,13,15-16H,6-10,12H2/t13-,15+,16-/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 311.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 11932885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).