N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen

C21H16FN7O3 — CID 144707806

IUPACN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cocn1.[H][H]
InChIInChI=1S/C21H14FN7O3.H2/c22-14-4-2-1-3-13(14)10-29-18(15-6-8-32-28-15)9-16(27-29)20-23-7-5-19(25-20)26-21(30)17-11-31-12-24-17;/h1-9,11-12H,10H2,(H,23,25,26,30);1H
InChIKeyWRWZGLCGJBGXBY-UHFFFAOYSA-N
MW433.40 g/mol
LogP3.67
Rot. Bonds6

About N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen (PubChem CID 144707806) has the molecular formula C21H16FN7O3 and a molecular weight of 433.40 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen
PubChem CID144707806
Molecular FormulaC21H16FN7O3
Molecular Weight433.40 g/mol
Exact Mass433.13
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cocn1.[H][H]
InChIInChI=1S/C21H14FN7O3.H2/c22-14-4-2-1-3-13(14)10-29-18(15-6-8-32-28-15)9-16(27-29)20-23-7-5-19(25-20)26-21(30)17-11-31-12-24-17;/h1-9,11-12H,10H2,(H,23,25,26,30);1H
InChIKeyWRWZGLCGJBGXBY-UHFFFAOYSA-N
XLogP3.67
TPSA124.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen (CID 144707806) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen is O=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cocn1.[H][H].
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen?
The InChIKey is WRWZGLCGJBGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN7O3.H2/c22-14-4-2-1-3-13(14)10-29-18(15-6-8-32-28-15)9-16(27-29)20-23-7-5-19(25-20)26-21(30)17-11-31-12-24-17;/h1-9,11-12H,10H2,(H,23,25,26,30);1H.
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen?
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen has a molecular weight of 433.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,3-oxazole-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 144707806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).