N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide

C23H28N2O3 — CID 71769178

IUPACN-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C23H28N2O3/c1-2-7-27-20-6-4-3-5-18(20)21-11-19(25-28-21)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-6,11,15-17H,2,7-10,12-14H2,1H3,(H,24,26)
InChIKeyRIXLFUGVKSPBOE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.83
Rot. Bonds6

About N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide

N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 71769178) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID71769178
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C23H28N2O3/c1-2-7-27-20-6-4-3-5-18(20)21-11-19(25-28-21)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-6,11,15-17H,2,7-10,12-14H2,1H3,(H,24,26)
InChIKeyRIXLFUGVKSPBOE-UHFFFAOYSA-N
XLogP4.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-5-[4-(2-methoxyphenyl)phenyl]-1,2-oxazole-3-carboxamide
CID 127045894
5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 54846502
N-(1-adamantyl)-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1,2-oxazole-3-carboxamide
CID 127045898
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498
N-(1-adamantyl)-5-[4-(4-carbamoylphenyl)phenyl]-1,2-oxazole-3-carboxamide
CID 127046840
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54847006
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584803
5-cyclopropyl-N-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 34345755
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 578415
N-(1-adamantyl)-4-(2-aminophenoxy)butanamide
CID 84555980
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide (CID 71769178) is N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide is CCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RIXLFUGVKSPBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-7-27-20-6-4-3-5-18(20)21-11-19(25-28-21)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-6,11,15-17H,2,7-10,12-14H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71769178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).