5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide

C20H28F3N5O3 — CID 142065667

IUPAC5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCOc1cncc(-c2oc(C(C)(C)N3CCNCC3)nc2C)c1.O=CNCC(F)(F)F
InChIInChI=1S/C17H24N4O2.C3H4F3NO/c1-12-15(13-9-14(22-4)11-19-10-13)23-16(20-12)17(2,3)21-7-5-18-6-8-21;4-3(5,6)1-7-2-8/h9-11,18H,5-8H2,1-4H3;2H,1H2,(H,7,8)
InChIKeyJVLWOLXEGBYWKV-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.49
Rot. Bonds6

About 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide

5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065667) has the molecular formula C20H28F3N5O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
PubChem CID142065667
Molecular FormulaC20H28F3N5O3
Molecular Weight443.47 g/mol
Exact Mass443.21
IUPAC Name5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCOc1cncc(-c2oc(C(C)(C)N3CCNCC3)nc2C)c1.O=CNCC(F)(F)F
InChIInChI=1S/C17H24N4O2.C3H4F3NO/c1-12-15(13-9-14(22-4)11-19-10-13)23-16(20-12)17(2,3)21-7-5-18-6-8-21;4-3(5,6)1-7-2-8/h9-11,18H,5-8H2,1-4H3;2H,1H2,(H,7,8)
InChIKeyJVLWOLXEGBYWKV-UHFFFAOYSA-N
XLogP2.49
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065690
4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20602972
(2S)-4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10238104
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880
N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine
CID 142065897
tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate
CID 142065729
1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
CID 142065736
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
CID 174680413
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
5-(3-fluorophenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole
CID 142065629
7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde
CID 142706125

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide (CID 142065667) is 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide is COc1cncc(-c2oc(C(C)(C)N3CCNCC3)nc2C)c1.O=CNCC(F)(F)F.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is JVLWOLXEGBYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C3H4F3NO/c1-12-15(13-9-14(22-4)11-19-10-13)23-16(20-12)17(2,3)21-7-5-18-6-8-21;4-3(5,6)1-7-2-8/h9-11,18H,5-8H2,1-4H3;2H,1H2,(H,7,8).
What are the key properties of 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 443.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).