3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one

C19H16FN5O2 — CID 175758091

IUPAC3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1cc(F)cc(Nc2ncc(C)c(Nn3c(=O)oc4ccccc43)n2)c1
InChIInChI=1S/C19H16FN5O2/c1-11-7-13(20)9-14(8-11)22-18-21-10-12(2)17(23-18)24-25-15-5-3-4-6-16(15)27-19(25)26/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyJCJXVUYFPNEISJ-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.76
Rot. Bonds4

About 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one

3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one (PubChem CID 175758091) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
PubChem CID175758091
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1cc(F)cc(Nc2ncc(C)c(Nn3c(=O)oc4ccccc43)n2)c1
InChIInChI=1S/C19H16FN5O2/c1-11-7-13(20)9-14(8-11)22-18-21-10-12(2)17(23-18)24-25-15-5-3-4-6-16(15)27-19(25)26/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyJCJXVUYFPNEISJ-UHFFFAOYSA-N
XLogP3.76
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-(4-fluoro-3-pyridin-3-ylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758087
3-[[5-methyl-2-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758109
3-[[5-methyl-2-[(1-methyl-2-oxo-3H-benzimidazol-5-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757928
3-[[2-[3-chloro-4-(trifluoromethyl)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one;2,2,2-trifluoroacetic acid
CID 175758139
3-[[2-[[6-[2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-fluoro-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757976
3-[[5-methyl-2-[(2-methyl-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758252
3-[[2-[[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175758261
3-[[2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757953
3-[[2-[3-methoxy-5-(trifluoromethyl)anilino]-5-methylpyrimidin-4-yl]amino]-7-methyl-1,3-benzoxazol-2-one
CID 175757925
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369
3-fluoro-5-[[2-[3-methoxy-5-(trifluoromethyl)anilino]-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 175757930
[[5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-2-oxo-1,3-benzoxazol-3-yl]oxy-hydroxyphosphanyl]formic acid
CID 70906085

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one (CID 175758091) is 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one is Cc1cc(F)cc(Nc2ncc(C)c(Nn3c(=O)oc4ccccc43)n2)c1.
What is the InChIKey of 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
The InChIKey is JCJXVUYFPNEISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-11-7-13(20)9-14(8-11)22-18-21-10-12(2)17(23-18)24-25-15-5-3-4-6-16(15)27-19(25)26/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one?
3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one has a molecular weight of 365.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluoro-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-1,3-benzoxazol-2-one is sourced from PubChem (CID 175758091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).