N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide

C18H17FN4O2 — CID 58242993

IUPACN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)c3ocnc3C)cc2F)n1
InChIInChI=1S/C18H17FN4O2/c1-10-7-16(12-3-4-12)23(22-10)15-6-5-13(8-14(15)19)21-18(24)17-11(2)20-9-25-17/h5-9,12H,3-4H2,1-2H3,(H,21,24)
InChIKeyBLVBZJYTJPVNCP-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.75
Rot. Bonds4

About N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 58242993) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID58242993
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)c3ocnc3C)cc2F)n1
InChIInChI=1S/C18H17FN4O2/c1-10-7-16(12-3-4-12)23(22-10)15-6-5-13(8-14(15)19)21-18(24)17-11(2)20-9-25-17/h5-9,12H,3-4H2,1-2H3,(H,21,24)
InChIKeyBLVBZJYTJPVNCP-UHFFFAOYSA-N
XLogP3.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 58242993) is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1cc(C2CC2)n(-c2ccc(NC(=O)c3ocnc3C)cc2F)n1.
What is the InChIKey of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is BLVBZJYTJPVNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10-7-16(12-3-4-12)23(22-10)15-6-5-13(8-14(15)19)21-18(24)17-11(2)20-9-25-17/h5-9,12H,3-4H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)-3-fluorophenyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58242993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).