N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide

C17H24N2O2 — CID 71789691

IUPACN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C17H24N2O2/c1-11-4-15(21-19-11)2-3-18-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,2-3,5-10H2,1H3,(H,18,20)
InChIKeyPGKLYLKJTUWDTG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide (PubChem CID 71789691) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
PubChem CID71789691
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C17H24N2O2/c1-11-4-15(21-19-11)2-3-18-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,2-3,5-10H2,1H3,(H,18,20)
InChIKeyPGKLYLKJTUWDTG-UHFFFAOYSA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide (CID 71789691) is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide is Cc1cc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)on1.
What is the InChIKey of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is PGKLYLKJTUWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-4-15(21-19-11)2-3-18-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,2-3,5-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide?
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 71789691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).