N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C21H18FN5O3 — CID 126842421

IUPACN-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cn3)c2)c1
InChIInChI=1S/C21H18FN5O3/c1-14-3-2-4-15(9-14)20-19(24-13-30-20)21(28)26-17-11-25-27(12-17)7-8-29-18-6-5-16(22)10-23-18/h2-6,9-13H,7-8H2,1H3,(H,26,28)
InChIKeyVZAROJABRMTEJU-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.71
Rot. Bonds7

About N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842421) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842421
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cn3)c2)c1
InChIInChI=1S/C21H18FN5O3/c1-14-3-2-4-15(9-14)20-19(24-13-30-20)21(28)26-17-11-25-27(12-17)7-8-29-18-6-5-16(22)10-23-18/h2-6,9-13H,7-8H2,1H3,(H,26,28)
InChIKeyVZAROJABRMTEJU-UHFFFAOYSA-N
XLogP3.71
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842421) is N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cn3)c2)c1.
What is the InChIKey of N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VZAROJABRMTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-14-3-2-4-15(9-14)20-19(24-13-30-20)21(28)26-17-11-25-27(12-17)7-8-29-18-6-5-16(22)10-23-18/h2-6,9-13H,7-8H2,1H3,(H,26,28).
What are the key properties of N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).