N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide

C18H18FN5O2 — CID 30133076

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C18H18FN5O2/c1-11-9-12(2)22-18(21-11)24-23-16(25)7-8-17-20-10-15(26-17)13-3-5-14(19)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyGKOPHQNWAIVXMI-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.96
Rot. Bonds6

About N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide (PubChem CID 30133076) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
PubChem CID30133076
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C18H18FN5O2/c1-11-9-12(2)22-18(21-11)24-23-16(25)7-8-17-20-10-15(26-17)13-3-5-14(19)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyGKOPHQNWAIVXMI-UHFFFAOYSA-N
XLogP2.96
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30257663
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 48670903
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide (CID 30133076) is N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide is Cc1cc(C)nc(NNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
The InChIKey is GKOPHQNWAIVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-9-12(2)22-18(21-11)24-23-16(25)7-8-17-20-10-15(26-17)13-3-5-14(19)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide has a molecular weight of 355.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide is sourced from PubChem (CID 30133076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).