4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one

C23H26N6O2 — CID 126685772

IUPAC4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(C4CC4)n3)c2)o1
InChIInChI=1S/C23H26N6O2/c1-14(2)20-21(30)24-10-11-29(20)23-26-13-19(31-23)16-4-3-5-17(12-16)27-22-25-9-8-18(28-22)15-6-7-15/h3-5,8-9,12-15,20H,6-7,10-11H2,1-2H3,(H,24,30)(H,25,27,28)
InChIKeyUNLWQLRKSGOTTG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.71
Rot. Bonds6

About 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one

4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one (PubChem CID 126685772) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one
PubChem CID126685772
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(C4CC4)n3)c2)o1
InChIInChI=1S/C23H26N6O2/c1-14(2)20-21(30)24-10-11-29(20)23-26-13-19(31-23)16-4-3-5-17(12-16)27-22-25-9-8-18(28-22)15-6-7-15/h3-5,8-9,12-15,20H,6-7,10-11H2,1-2H3,(H,24,30)(H,25,27,28)
InChIKeyUNLWQLRKSGOTTG-UHFFFAOYSA-N
XLogP3.71
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one with MolForge

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Related Compounds

N-[3-(5-oxazolyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-2-pyrimidinamine
CID 10172326
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
(2-Methoxy-6-oxazol-5-yl-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11631233
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
N-[3-[[5-cyclopropyl-2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 44464266
2-(4-Fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole
CID 54760511
6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165414922
7-Phenyl-1-(5-(pyrimidin-4-yl)oxazol-2-yl)heptan-1-one
CID 11290604
1-(Cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one
CID 16720104
4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-oxazol-2-yl}-1-methyl-piperidin-4-ol
CID 44345964
N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 44529200
2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 46231312

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one (CID 126685772) is 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1c1ncc(-c2cccc(Nc3nccc(C4CC4)n3)c2)o1.
What is the InChIKey of 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is UNLWQLRKSGOTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14(2)20-21(30)24-10-11-29(20)23-26-13-19(31-23)16-4-3-5-17(12-16)27-22-25-9-8-18(28-22)15-6-7-15/h3-5,8-9,12-15,20H,6-7,10-11H2,1-2H3,(H,24,30)(H,25,27,28).
What are the key properties of 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one?
4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 126685772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).