N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

C21H24N2O3 — CID 167763232

IUPACN-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cc1
InChIInChI=1S/C21H24N2O3/c1-25-17-4-2-14(3-5-17)18-11-19(26-23-18)21(24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h2-5,11-13,15-16,20H,6-10H2,1H3,(H,22,24)
InChIKeyLBWQVNXHXGCYCZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.90
Rot. Bonds4

About N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 167763232) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID167763232
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cc1
InChIInChI=1S/C21H24N2O3/c1-25-17-4-2-14(3-5-17)18-11-19(26-23-18)21(24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h2-5,11-13,15-16,20H,6-10H2,1H3,(H,22,24)
InChIKeyLBWQVNXHXGCYCZ-UHFFFAOYSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 122590495
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16762540
N-(2-adamantyl)-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443228
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
3-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 46978189
N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
CID 24948549
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
3-(4-methoxyphenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51688774

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 167763232) is N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cc1.
What is the InChIKey of N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LBWQVNXHXGCYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-17-4-2-14(3-5-17)18-11-19(26-23-18)21(24)22-20-15-7-12-6-13(9-15)10-16(20)8-12/h2-5,11-13,15-16,20H,6-10H2,1H3,(H,22,24).
What are the key properties of N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167763232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).