(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate

C21H23NO3 — CID 8519620

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H23NO3/c23-21(20-16-7-13-6-14(9-16)10-17(20)8-13)24-12-19-22-11-18(25-19)15-4-2-1-3-5-15/h1-5,11,13-14,16-17,20H,6-10,12H2
InChIKeyQELPEJXMKLAWNF-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.46
Rot. Bonds4

About (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate (PubChem CID 8519620) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate
PubChem CID8519620
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H23NO3/c23-21(20-16-7-13-6-14(9-16)10-17(20)8-13)24-12-19-22-11-18(25-19)15-4-2-1-3-5-15/h1-5,11,13-14,16-17,20H,6-10,12H2
InChIKeyQELPEJXMKLAWNF-UHFFFAOYSA-N
XLogP4.46
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11932885
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
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(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
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(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
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(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
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5-O-ethyl 3-O-[(5-phenyl-1,3-oxazol-2-yl)methyl] 2-phenyl-3,4-dihydropyrazole-3,5-dicarboxylate
CID 56507158
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate
CID 9339321
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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate (CID 8519620) is (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate is O=C(OCc1ncc(-c2ccccc2)o1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate?
The InChIKey is QELPEJXMKLAWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21(20-16-7-13-6-14(9-16)10-17(20)8-13)24-12-19-22-11-18(25-19)15-4-2-1-3-5-15/h1-5,11,13-14,16-17,20H,6-10,12H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl adamantane-2-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.46, 4 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 adamantane-2-carboxylate is sourced from PubChem (CID 8519620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).