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

C19H19FN4O3 — CID 146220478

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide
SMILESCOC1(c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)CCC1
InChIInChI=1S/C19H19FN4O3/c1-26-19(6-3-7-19)17-9-16(23-27-17)18(25)22-15-10-21-24(12-15)11-13-4-2-5-14(20)8-13/h2,4-5,8-10,12H,3,6-7,11H2,1H3,(H,22,25)
InChIKeyHANVIVWUPUOVJA-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.34
Rot. Bonds6

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 146220478) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide
PubChem CID146220478
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide
SMILESCOC1(c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)CCC1
InChIInChI=1S/C19H19FN4O3/c1-26-19(6-3-7-19)17-9-16(23-27-17)18(25)22-15-10-21-24(12-15)11-13-4-2-5-14(20)8-13/h2,4-5,8-10,12H,3,6-7,11H2,1H3,(H,22,25)
InChIKeyHANVIVWUPUOVJA-UHFFFAOYSA-N
XLogP3.34
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide (CID 146220478) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide is COC1(c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)CCC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HANVIVWUPUOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-26-19(6-3-7-19)17-9-16(23-27-17)18(25)22-15-10-21-24(12-15)11-13-4-2-5-14(20)8-13/h2,4-5,8-10,12H,3,6-7,11H2,1H3,(H,22,25).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methoxycyclobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).