[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H18ClN5O2 — CID 1094868

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18ClN5O2/c1-13-16(17(23-27-13)14-5-2-3-6-15(14)20)18(26)24-9-11-25(12-10-24)19-21-7-4-8-22-19/h2-8H,9-12H2,1H3
InChIKeyQTGFWHCQTCETKA-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.06
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1094868) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1094868
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H18ClN5O2/c1-13-16(17(23-27-13)14-5-2-3-6-15(14)20)18(26)24-9-11-25(12-10-24)19-21-7-4-8-22-19/h2-8H,9-12H2,1H3
InChIKeyQTGFWHCQTCETKA-UHFFFAOYSA-N
XLogP3.06
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
Akp-001
CID 11626055
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11654334
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329881
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2355899
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-4-isoxazolecarboxamide
CID 741178
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11502801
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67196472
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58072781

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1094868) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QTGFWHCQTCETKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-13-16(17(23-27-13)14-5-2-3-6-15(14)20)18(26)24-9-11-25(12-10-24)19-21-7-4-8-22-19/h2-8H,9-12H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 383.84 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1094868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).