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

C20H24N2O2 — CID 110707389

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1ccc2ocnc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O2/c23-19(20-9-14-5-15(10-20)7-16(6-14)11-20)21-4-3-13-1-2-18-17(8-13)22-12-24-18/h1-2,8,12,14-16H,3-7,9-11H2,(H,21,23)
InChIKeyVRYXHPRSMPBHSH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.70
Rot. Bonds4

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

N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110707389) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
PubChem CID110707389
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1ccc2ocnc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O2/c23-19(20-9-14-5-15(10-20)7-16(6-14)11-20)21-4-3-13-1-2-18-17(8-13)22-12-24-18/h1-2,8,12,14-16H,3-7,9-11H2,(H,21,23)
InChIKeyVRYXHPRSMPBHSH-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
CID 110728889
N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110721981
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
CID 82490944
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110707373
N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide
CID 110790911
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
4-(1,3-benzoxazol-5-yl)butanoic acid
CID 82492001

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide (CID 110707389) is N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide is O=C(NCCc1ccc2ocnc2c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is VRYXHPRSMPBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(20-9-14-5-15(10-20)7-16(6-14)11-20)21-4-3-13-1-2-18-17(8-13)22-12-24-18/h1-2,8,12,14-16H,3-7,9-11H2,(H,21,23).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.70, 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-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110707389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).