N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide

C18H28N4O3 — CID 138036277

IUPACN-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
SMILESCCC(O)(CC)C(C)(C)CNC(=O)c1oc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C18H28N4O3/c1-7-18(24,8-2)17(4,5)11-19-15(23)14-12(3)21-16(25-14)13-9-20-22(6)10-13/h9-10,24H,7-8,11H2,1-6H3,(H,19,23)
InChIKeyRYQZRVYEIPIXNP-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.69
Rot. Bonds7

About N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide

N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide (PubChem CID 138036277) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
PubChem CID138036277
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
SMILESCCC(O)(CC)C(C)(C)CNC(=O)c1oc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C18H28N4O3/c1-7-18(24,8-2)17(4,5)11-19-15(23)14-12(3)21-16(25-14)13-9-20-22(6)10-13/h9-10,24H,7-8,11H2,1-6H3,(H,19,23)
InChIKeyRYQZRVYEIPIXNP-UHFFFAOYSA-N
XLogP2.69
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide (CID 138036277) is N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide is CCC(O)(CC)C(C)(C)CNC(=O)c1oc(-c2cnn(C)c2)nc1C.
What is the InChIKey of N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is RYQZRVYEIPIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-7-18(24,8-2)17(4,5)11-19-15(23)14-12(3)21-16(25-14)13-9-20-22(6)10-13/h9-10,24H,7-8,11H2,1-6H3,(H,19,23).
What are the key properties of N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3-hydroxy-2,2-dimethylpentyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138036277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).