4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole

C12H11N5O — CID 3233854

IUPAC4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cncnc1-n1ccnc1
InChIInChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)10-5-14-6-15-12(10)17-4-3-13-7-17/h3-7H,1-2H3
InChIKeyPMDKFYBEHQTEIN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole

4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 3233854) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID3233854
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cncnc1-n1ccnc1
InChIInChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)10-5-14-6-15-12(10)17-4-3-13-7-17/h3-7H,1-2H3
InChIKeyPMDKFYBEHQTEIN-UHFFFAOYSA-N
XLogP1.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334980
4-(4-Imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 3234277
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 3234459
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyrimidin-4-amine
CID 3235572
2-(5-Methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488777
7-Methyl-2-(5-methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488778
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3232817
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
CID 3232908
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3232933
3,5-Dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,2-oxazole
CID 3232988

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole (CID 3233854) is 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cncnc1-n1ccnc1.
What is the InChIKey of 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is PMDKFYBEHQTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-11(9(2)18-16-8)10-5-14-6-15-12(10)17-4-3-13-7-17/h3-7H,1-2H3.
What are the key properties of 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 241.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 3233854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).