N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C24H26N4O2 — CID 2971659

IUPACN-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-2-4-19(5-3-15)22-9-21(27-30-22)23(29)26-20-13-25-28(14-20)24-10-16-6-17(11-24)8-18(7-16)12-24/h2-5,9,13-14,16-18H,6-8,10-12H2,1H3,(H,26,29)
InChIKeyMAKRIIJKNQQQED-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.02
Rot. Bonds4

About N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2971659) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2971659
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-2-4-19(5-3-15)22-9-21(27-30-22)23(29)26-20-13-25-28(14-20)24-10-16-6-17(11-24)8-18(7-16)12-24/h2-5,9,13-14,16-18H,6-8,10-12H2,1H3,(H,26,29)
InChIKeyMAKRIIJKNQQQED-UHFFFAOYSA-N
XLogP5.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
US10889564, Example 22
CID 129104683
US10889564, Example 30
CID 129104768
US10889564, Example 34
CID 129104776
US10889564, Example 29
CID 129104778
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
CID 1253408
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3241472

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 2971659) is N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MAKRIIJKNQQQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-2-4-19(5-3-15)22-9-21(27-30-22)23(29)26-20-13-25-28(14-20)24-10-16-6-17(11-24)8-18(7-16)12-24/h2-5,9,13-14,16-18H,6-8,10-12H2,1H3,(H,26,29).
What are the key properties of N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2971659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).