2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

C19H23N5O2 — CID 110118569

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCN(C(=O)Cc4c(C)noc4C)CC3)n2n1
InChIInChI=1S/C19H23N5O2/c1-12-10-18-20-7-4-17(24(18)21-12)15-5-8-23(9-6-15)19(25)11-16-13(2)22-26-14(16)3/h4,7,10,15H,5-6,8-9,11H2,1-3H3
InChIKeyNBHXRMWVLHGUJQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (PubChem CID 110118569) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
PubChem CID110118569
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCN(C(=O)Cc4c(C)noc4C)CC3)n2n1
InChIInChI=1S/C19H23N5O2/c1-12-10-18-20-7-4-17(24(18)21-12)15-5-8-23(9-6-15)19(25)11-16-13(2)22-26-14(16)3/h4,7,10,15H,5-6,8-9,11H2,1-3H3
InChIKeyNBHXRMWVLHGUJQ-UHFFFAOYSA-N
XLogP2.59
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 110118573
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 127246561
[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118556
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126855988
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]ethanone
CID 110126886
6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941537
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (CID 110118569) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is Cc1cc2nccc(C3CCN(C(=O)Cc4c(C)noc4C)CC3)n2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is NBHXRMWVLHGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-10-18-20-7-4-17(24(18)21-12)15-5-8-23(9-6-15)19(25)11-16-13(2)22-26-14(16)3/h4,7,10,15H,5-6,8-9,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110118569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).