N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C22H25FN2O3 — CID 19492574

IUPACN-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2C3CC4CC(C3)CC2C4)c1COc1cccc(F)c1
InChIInChI=1S/C22H25FN2O3/c1-12-19(11-27-18-4-2-3-17(23)10-18)21(25-28-12)22(26)24-20-15-6-13-5-14(8-15)9-16(20)7-13/h2-4,10,13-16,20H,5-9,11H2,1H3,(H,24,26)
InChIKeyMPZOXKRCAYGVKC-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.26
Rot. Bonds5

About N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19492574) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19492574
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2C3CC4CC(C3)CC2C4)c1COc1cccc(F)c1
InChIInChI=1S/C22H25FN2O3/c1-12-19(11-27-18-4-2-3-17(23)10-18)21(25-28-12)22(26)24-20-15-6-13-5-14(8-15)9-16(20)7-13/h2-4,10,13-16,20H,5-9,11H2,1H3,(H,24,26)
InChIKeyMPZOXKRCAYGVKC-UHFFFAOYSA-N
XLogP4.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443228
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492489
1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112832180
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
4-[(3-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 19492747
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19492670

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19492574) is N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2C3CC4CC(C3)CC2C4)c1COc1cccc(F)c1.
What is the InChIKey of N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is MPZOXKRCAYGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-12-19(11-27-18-4-2-3-17(23)10-18)21(25-28-12)22(26)24-20-15-6-13-5-14(8-15)9-16(20)7-13/h2-4,10,13-16,20H,5-9,11H2,1H3,(H,24,26).
What are the key properties of N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).