5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole

C23H18ClN3O2 — CID 142606823

IUPAC5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
SMILESCc1nc(Oc2ccccc2)oc1-c1nc(C2CC2)ncc1-c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-14-21(29-23(26-14)28-16-7-3-2-4-8-16)20-18(17-9-5-6-10-19(17)24)13-25-22(27-20)15-11-12-15/h2-10,13,15H,11-12H2,1H3
InChIKeyUBPIPMRTIVZYSL-UHFFFAOYSA-N
MW403.87 g/mol
LogP6.43
Rot. Bonds5

About 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole

5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole (PubChem CID 142606823) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
PubChem CID142606823
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
SMILESCc1nc(Oc2ccccc2)oc1-c1nc(C2CC2)ncc1-c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-14-21(29-23(26-14)28-16-7-3-2-4-8-16)20-18(17-9-5-6-10-19(17)24)13-25-22(27-20)15-11-12-15/h2-10,13,15H,11-12H2,1H3
InChIKeyUBPIPMRTIVZYSL-UHFFFAOYSA-N
XLogP6.43
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-1,3-oxazole
CID 142606816
3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
CID 170994469
4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
CID 170992532
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
tert-butyl N-[[5-(2-chlorophenyl)-2-cyclopropylpyrimidine-4-carbonyl]amino]-N-methylcarbamate
CID 150588786
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
5-(6-chloro-1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine
CID 139451057
N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
CID 146449241
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
5-bromo-2-cyclopropyl-4-methylpyrimidine
CID 82374731
2-cyclopropyl-4-methylquinazoline
CID 125485974
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
CID 67283736

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole?
The IUPAC name of 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole (CID 142606823) is 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole?
The canonical SMILES for 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole is Cc1nc(Oc2ccccc2)oc1-c1nc(C2CC2)ncc1-c1ccccc1Cl.
What is the InChIKey of 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole?
The InChIKey is UBPIPMRTIVZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-14-21(29-23(26-14)28-16-7-3-2-4-8-16)20-18(17-9-5-6-10-19(17)24)13-25-22(27-20)15-11-12-15/h2-10,13,15H,11-12H2,1H3.
What are the key properties of 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole?
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole has a molecular weight of 403.87 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole is sourced from PubChem (CID 142606823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).