2-(1-adamantyl)-5-ethyl-1,3-benzoxazole

C19H23NO — CID 91679420

IUPAC2-(1-adamantyl)-5-ethyl-1,3-benzoxazole
SMILESCCc1ccc2oc(C34CC5CC(CC(C5)C3)C4)nc2c1
InChIInChI=1S/C19H23NO/c1-2-12-3-4-17-16(8-12)20-18(21-17)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15H,2,5-7,9-11H2,1H3
InChIKeyGJSAUOIECAFGLP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.86
Rot. Bonds2

About 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole

2-(1-adamantyl)-5-ethyl-1,3-benzoxazole (PubChem CID 91679420) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-ethyl-1,3-benzoxazole
PubChem CID91679420
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(1-adamantyl)-5-ethyl-1,3-benzoxazole
SMILESCCc1ccc2oc(C34CC5CC(CC(C5)C3)C4)nc2c1
InChIInChI=1S/C19H23NO/c1-2-12-3-4-17-16(8-12)20-18(21-17)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15H,2,5-7,9-11H2,1H3
InChIKeyGJSAUOIECAFGLP-UHFFFAOYSA-N
XLogP4.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
CID 82905095
5-ethyl-1,3-benzoxazole-2-sulfonyl chloride
CID 131279795
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
CID 115430668
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2-(1-adamantyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91679413

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole?
The IUPAC name of 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole (CID 91679420) is 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole?
The canonical SMILES for 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole is CCc1ccc2oc(C34CC5CC(CC(C5)C3)C4)nc2c1.
What is the InChIKey of 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole?
The InChIKey is GJSAUOIECAFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-12-3-4-17-16(8-12)20-18(21-17)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15H,2,5-7,9-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole?
2-(1-adamantyl)-5-ethyl-1,3-benzoxazole has a molecular weight of 281.40 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-ethyl-1,3-benzoxazole is sourced from PubChem (CID 91679420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).