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

C19H23FN4O2 — CID 19491767

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CC(c3ccc(F)cc3)=NO2)c1C
InChIInChI=1S/C19H23FN4O2/c1-5-24-13(3)16(12(2)21-24)11-23(4)19(25)18-10-17(22-26-18)14-6-8-15(20)9-7-14/h6-9,18H,5,10-11H2,1-4H3
InChIKeyWXEJLMSRTZBQJM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.81
Rot. Bonds5

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491767) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491767
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CC(c3ccc(F)cc3)=NO2)c1C
InChIInChI=1S/C19H23FN4O2/c1-5-24-13(3)16(12(2)21-24)11-23(4)19(25)18-10-17(22-26-18)14-6-8-15(20)9-7-14/h6-9,18H,5,10-11H2,1-4H3
InChIKeyWXEJLMSRTZBQJM-UHFFFAOYSA-N
XLogP2.81
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491767) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1nc(C)c(CN(C)C(=O)C2CC(c3ccc(F)cc3)=NO2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WXEJLMSRTZBQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-5-24-13(3)16(12(2)21-24)11-23(4)19(25)18-10-17(22-26-18)14-6-8-15(20)9-7-14/h6-9,18H,5,10-11H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).