(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C20H24N6O2 — CID 46958851

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)c1C
InChIInChI=1S/C20H24N6O2/c1-4-26-14(3)16(11-23-26)20(27)25-7-5-15(6-8-25)19-17(10-21-12-22-19)18-9-13(2)24-28-18/h9-12,15H,4-8H2,1-3H3
InChIKeyNLPQEPVXFMYFPB-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.98
Rot. Bonds4

About (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 46958851) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID46958851
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)c1C
InChIInChI=1S/C20H24N6O2/c1-4-26-14(3)16(11-23-26)20(27)25-7-5-15(6-8-25)19-17(10-21-12-22-19)18-9-13(2)24-28-18/h9-12,15H,4-8H2,1-3H3
InChIKeyNLPQEPVXFMYFPB-UHFFFAOYSA-N
XLogP2.98
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670370
N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 16669794
1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110225718
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 16669757
2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797354
3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
CID 95833537
3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797361
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95799720
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
[1-(4-chlorophenyl)cyclobutyl]-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95797358
[4-(5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
CID 110233544
butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 175805439

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 46958851) is (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is CCn1ncc(C(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is NLPQEPVXFMYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-26-14(3)16(11-23-26)20(27)25-7-5-15(6-8-25)19-17(10-21-12-22-19)18-9-13(2)24-28-18/h9-12,15H,4-8H2,1-3H3.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46958851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).