N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

C20H16FN5O3 — CID 118562615

IUPACN-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C
InChIInChI=1S/C20H16FN5O3/c1-26-17(10-16(25-26)19(27)24-15-5-6-22-11-14(15)21)13-9-12(3-4-18(13)28-2)20-23-7-8-29-20/h3-11H,1-2H3,(H,22,24,27)
InChIKeyVUOBRPPACNQIKN-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.54
Rot. Bonds5

About N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 118562615) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID118562615
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C
InChIInChI=1S/C20H16FN5O3/c1-26-17(10-16(25-26)19(27)24-15-5-6-22-11-14(15)21)13-9-12(3-4-18(13)28-2)20-23-7-8-29-20/h3-11H,1-2H3,(H,22,24,27)
InChIKeyVUOBRPPACNQIKN-UHFFFAOYSA-N
XLogP3.54
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 118562615) is N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide is COc1ccc(-c2ncco2)cc1-c1cc(C(=O)Nc2ccncc2F)nn1C.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is VUOBRPPACNQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-26-17(10-16(25-26)19(27)24-15-5-6-22-11-14(15)21)13-9-12(3-4-18(13)28-2)20-23-7-8-29-20/h3-11H,1-2H3,(H,22,24,27).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-[2-methoxy-5-(1,3-oxazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118562615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).