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

C18H19FN4O2 — CID 50960826

IUPAC2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C18H19FN4O2/c1-4-16-21-12(2)17(25-16)18(24)22(3)10-13-9-20-23(11-13)15-7-5-14(19)6-8-15/h5-9,11H,4,10H2,1-3H3
InChIKeyNOWDDRHBDSIKJS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.14
Rot. Bonds5

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

2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 50960826) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID50960826
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C18H19FN4O2/c1-4-16-21-12(2)17(25-16)18(24)22(3)10-13-9-20-23(11-13)15-7-5-14(19)6-8-15/h5-9,11H,4,10H2,1-3H3
InChIKeyNOWDDRHBDSIKJS-UHFFFAOYSA-N
XLogP3.14
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58242993
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CID 90395907

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 50960826) is 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)o1.
What is the InChIKey of 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NOWDDRHBDSIKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-4-16-21-12(2)17(25-16)18(24)22(3)10-13-9-20-23(11-13)15-7-5-14(19)6-8-15/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 50960826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).