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

C19H21FN4O3 — CID 19492838

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2noc(C)c2COc2ccccc2F)c(C)n1
InChIInChI=1S/C19H21FN4O3/c1-4-24-10-14(12(2)22-24)9-21-19(25)18-15(13(3)27-23-18)11-26-17-8-6-5-7-16(17)20/h5-8,10H,4,9,11H2,1-3H3,(H,21,25)
InChIKeyREVHUKRNIFUXNI-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.16
Rot. Bonds7

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19492838) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19492838
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2noc(C)c2COc2ccccc2F)c(C)n1
InChIInChI=1S/C19H21FN4O3/c1-4-24-10-14(12(2)22-24)9-21-19(25)18-15(13(3)27-23-18)11-26-17-8-6-5-7-16(17)20/h5-8,10H,4,9,11H2,1-3H3,(H,21,25)
InChIKeyREVHUKRNIFUXNI-UHFFFAOYSA-N
XLogP3.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483906
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442967
4-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444273
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19492841
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445325
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492805
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492810
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492833

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19492838) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1cc(CNC(=O)c2noc(C)c2COc2ccccc2F)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is REVHUKRNIFUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-4-24-10-14(12(2)22-24)9-21-19(25)18-15(13(3)27-23-18)11-26-17-8-6-5-7-16(17)20/h5-8,10H,4,9,11H2,1-3H3,(H,21,25).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).