N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide

C18H20N2O2 — CID 110728889

IUPACN-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20N2O2/c21-17(20-14-1-2-15-16(6-14)22-10-19-15)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H,20,21)
InChIKeyVPBSYXAXHLMQIC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.98
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide

N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide (PubChem CID 110728889) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
PubChem CID110728889
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20N2O2/c21-17(20-14-1-2-15-16(6-14)22-10-19-15)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H,20,21)
InChIKeyVPBSYXAXHLMQIC-UHFFFAOYSA-N
XLogP3.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
CID 2862065
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]adamantane-1-carboxamide
CID 30035082
N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
CID 26053155
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide (CID 110728889) is N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide is O=C(Nc1ccc2ncoc2c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide?
The InChIKey is VPBSYXAXHLMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(20-14-1-2-15-16(6-14)22-10-19-15)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H,20,21).
What are the key properties of N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide?
N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide is sourced from PubChem (CID 110728889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).