5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole

C8H6ClN3O — CID 166610755

IUPAC5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccnc(Cl)n2)o1
InChIInChI=1S/C8H6ClN3O/c1-5-11-4-7(13-5)6-2-3-10-8(9)12-6/h2-4H,1H3
InChIKeyUSUPISONTAJBMJ-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.09
Rot. Bonds1

About 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole

5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole (PubChem CID 166610755) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole
PubChem CID166610755
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccnc(Cl)n2)o1
InChIInChI=1S/C8H6ClN3O/c1-5-11-4-7(13-5)6-2-3-10-8(9)12-6/h2-4H,1H3
InChIKeyUSUPISONTAJBMJ-UHFFFAOYSA-N
XLogP2.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dimethyl-1,3-oxazol-5-yl)pyrimidin-2-amine
CID 577802
(9S)-8-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352343
(9S)-8-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352648
8-N-[4-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3-diene-5,8-dicarboxamide
CID 121352728
(2R)-2-[[6-(2-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]amino]-1-[(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidin-1-yl]propan-1-one
CID 178126490
(2R)-2-[[6-(2-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]amino]-1-[3-(trifluoromethoxy)azetidin-1-yl]propan-1-one
CID 178127360
(2R)-1-(azetidin-1-yl)-2-[[6-(2-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]amino]propan-1-one;trifluoromethanol
CID 178127397
[4-(2,4-Dimethyl-1,3-oxazol-5-yl)-2-methylpyrimidin-5-yl]methanamine
CID 57571623
2-Methyl-5-pyrimidin-4-yl-1,3-oxazole
CID 59168894
5-(6-Methoxypyrimidin-4-yl)-1,3-oxazole
CID 59830300
5-(2-Methoxypyrimidin-4-yl)-1,3-oxazole
CID 59830303
5-(Pyrimidin-4-yl)oxazole
CID 68508514

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole (CID 166610755) is 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole is Cc1ncc(-c2ccnc(Cl)n2)o1.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole?
The InChIKey is USUPISONTAJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-5-11-4-7(13-5)6-2-3-10-8(9)12-6/h2-4H,1H3.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole?
5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole has a molecular weight of 195.61 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 166610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).