N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H26N2O3 — CID 72719721

IUPACN-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOC1(CNC(=O)c2cc(-c3ccccc3)on2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2O3/c1-26-22(17-8-14-7-15(10-17)11-18(22)9-14)13-23-21(25)19-12-20(27-24-19)16-5-3-2-4-6-16/h2-6,12,14-15,17-18H,7-11,13H2,1H3,(H,23,25)
InChIKeyZICOOHPYCYOBKF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.91
Rot. Bonds5

About N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 72719721) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID72719721
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOC1(CNC(=O)c2cc(-c3ccccc3)on2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2O3/c1-26-22(17-8-14-7-15(10-17)11-18(22)9-14)13-23-21(25)19-12-20(27-24-19)16-5-3-2-4-6-16/h2-6,12,14-15,17-18H,7-11,13H2,1H3,(H,23,25)
InChIKeyZICOOHPYCYOBKF-UHFFFAOYSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 72719721) is N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is COC1(CNC(=O)c2cc(-c3ccccc3)on2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZICOOHPYCYOBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-22(17-8-14-7-15(10-17)11-18(22)9-14)13-23-21(25)19-12-20(27-24-19)16-5-3-2-4-6-16/h2-6,12,14-15,17-18H,7-11,13H2,1H3,(H,23,25).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72719721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).