N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C19H19FN4O2 — CID 71893214

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-12(2)24(3)17-7-6-14(9-15(17)20)22-19(25)16-10-18(26-23-16)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,25)
InChIKeyAYOFYNPVOWDUIJ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.97
Rot. Bonds5

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 71893214) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID71893214
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-12(2)24(3)17-7-6-14(9-15(17)20)22-19(25)16-10-18(26-23-16)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,25)
InChIKeyAYOFYNPVOWDUIJ-UHFFFAOYSA-N
XLogP3.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
CID 51117222
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 71893214) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(C)N(C)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is AYOFYNPVOWDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12(2)24(3)17-7-6-14(9-15(17)20)22-19(25)16-10-18(26-23-16)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71893214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).