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

C17H17FN4O2 — CID 146220609

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C17H17FN4O2/c1-11(2)16-7-15(21-24-16)17(23)20-14-8-19-22(10-14)9-12-4-3-5-13(18)6-12/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyMHSUYDAYWNADJP-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.43
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 146220609) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID146220609
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C17H17FN4O2/c1-11(2)16-7-15(21-24-16)17(23)20-14-8-19-22(10-14)9-12-4-3-5-13(18)6-12/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyMHSUYDAYWNADJP-UHFFFAOYSA-N
XLogP3.43
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 146220609) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MHSUYDAYWNADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11(2)16-7-15(21-24-16)17(23)20-14-8-19-22(10-14)9-12-4-3-5-13(18)6-12/h3-8,10-11H,9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).