N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide

C16H22N2O2 — CID 110721981

IUPACN-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1cocn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-15(17-2-1-14-9-20-10-18-14)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,17,19)
InChIKeyGRGLOTCPRBRWIY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide

N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110721981) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
PubChem CID110721981
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1cocn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-15(17-2-1-14-9-20-10-18-14)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,17,19)
InChIKeyGRGLOTCPRBRWIY-UHFFFAOYSA-N
XLogP2.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide (CID 110721981) is N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide is O=C(NCCc1cocn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is GRGLOTCPRBRWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(17-2-1-14-9-20-10-18-14)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,1-8H2,(H,17,19).
What are the key properties of N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide?
N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).