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

C21H17FN4O3 — CID 3238250

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)no2)c1
InChIInChI=1S/C21H17FN4O3/c1-28-18-4-2-3-15(9-18)20-10-19(25-29-20)21(27)24-17-11-23-26(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyJJDIZIDSTVGPSQ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.99
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3238250) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3238250
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)no2)c1
InChIInChI=1S/C21H17FN4O3/c1-28-18-4-2-3-15(9-18)20-10-19(25-29-20)21(27)24-17-11-23-26(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyJJDIZIDSTVGPSQ-UHFFFAOYSA-N
XLogP3.99
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3238250) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)no2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JJDIZIDSTVGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-28-18-4-2-3-15(9-18)20-10-19(25-29-20)21(27)24-17-11-23-26(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).