1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one

C23H17ClFN5O2 — CID 177328857

IUPAC1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one
SMILESO=c1nc(C2CC2)ccn1-c1nc(-c2nccc(C3CC3)n2)oc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C23H17ClFN5O2/c24-15-6-5-14(11-16(15)25)19-21(30-10-8-18(13-3-4-13)28-23(30)31)29-22(32-19)20-26-9-7-17(27-20)12-1-2-12/h5-13H,1-4H2
InChIKeyNKSKCEFQVYLOMS-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.89
Rot. Bonds5

About 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one

1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one (PubChem CID 177328857) has the molecular formula C23H17ClFN5O2 and a molecular weight of 449.87 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one
PubChem CID177328857
Molecular FormulaC23H17ClFN5O2
Molecular Weight449.87 g/mol
Exact Mass449.11
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one
SMILESO=c1nc(C2CC2)ccn1-c1nc(-c2nccc(C3CC3)n2)oc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C23H17ClFN5O2/c24-15-6-5-14(11-16(15)25)19-21(30-10-8-18(13-3-4-13)28-23(30)31)29-22(32-19)20-26-9-7-17(27-20)12-1-2-12/h5-13H,1-4H2
InChIKeyNKSKCEFQVYLOMS-UHFFFAOYSA-N
XLogP4.89
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-chloro-3,5-difluorophenyl)-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one
CID 177328759
[2-[5-(4-chloro-3-fluorophenyl)-4-(4-cyclopropyl-2-oxopyrimidin-1-yl)-1,3-oxazol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]methyl methanesulfonate
CID 177328702
4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328810
4-cyclopropyl-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328715
1-[5-(4-chloro-3-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,3-oxazol-4-yl]-5-methyl-4-methylsulfanylpyrimidin-2-one
CID 177328805
1-[5-(4-chloro-3-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazol-4-yl]-5-fluoro-4-(trideuteriomethylamino)pyrimidin-2-one
CID 171098750
4-[(1S,2R)-2-fluorocyclopropyl]-1-[2-(1-methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328682
5-bromo-1-[5-(4-chloro-3-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazol-4-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
CID 171098763
7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one
CID 171098869
3-[5-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]-5-fluoro-6-methylimino-1,2-dihydropyrimidin-2-ol
CID 174244460
[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62251681
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one (CID 177328857) is 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one is O=c1nc(C2CC2)ccn1-c1nc(-c2nccc(C3CC3)n2)oc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one?
The InChIKey is NKSKCEFQVYLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O2/c24-15-6-5-14(11-16(15)25)19-21(30-10-8-18(13-3-4-13)28-23(30)31)29-22(32-19)20-26-9-7-17(27-20)12-1-2-12/h5-13H,1-4H2.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one?
1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one has a molecular weight of 449.87 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)-2-(4-cyclopropylpyrimidin-2-yl)-1,3-oxazol-4-yl]-4-cyclopropylpyrimidin-2-one is sourced from PubChem (CID 177328857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).