N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

C19H22N4O3 — CID 19488136

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2cnn(C)c2C)c1COc1ccccc1
InChIInChI=1S/C19H22N4O3/c1-12(16-10-20-23(4)13(16)2)21-19(24)18-17(14(3)26-22-18)11-25-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyULTOOZLDXOZWKK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19488136) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID19488136
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2cnn(C)c2C)c1COc1ccccc1
InChIInChI=1S/C19H22N4O3/c1-12(16-10-20-23(4)13(16)2)21-19(24)18-17(14(3)26-22-18)11-25-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyULTOOZLDXOZWKK-UHFFFAOYSA-N
XLogP3.09
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444610
4-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443815
4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19486087
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444542
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444132
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (CID 19488136) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC(C)c2cnn(C)c2C)c1COc1ccccc1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ULTOOZLDXOZWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(16-10-20-23(4)13(16)2)21-19(24)18-17(14(3)26-22-18)11-25-15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).