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

C17H17N5O2S — CID 110213918

IUPAC[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)c3cnsc3)C2)on1
InChIInChI=1S/C17H17N5O2S/c1-11-5-15(24-21-11)14-7-18-10-19-16(14)12-3-2-4-22(8-12)17(23)13-6-20-25-9-13/h5-7,9-10,12H,2-4,8H2,1H3
InChIKeyNTXZZFPZQBXOCT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.92
Rot. Bonds3

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

[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (PubChem CID 110213918) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
PubChem CID110213918
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)c3cnsc3)C2)on1
InChIInChI=1S/C17H17N5O2S/c1-11-5-15(24-21-11)14-7-18-10-19-16(14)12-3-2-4-22(8-12)17(23)13-6-20-25-9-13/h5-7,9-10,12H,2-4,8H2,1H3
InChIKeyNTXZZFPZQBXOCT-UHFFFAOYSA-N
XLogP2.92
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-5-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 45488521
5-(3-Methyl-1,2-oxazol-5-YL)-4-(5-methylthiophen-2-YL)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 95799419
1-[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145982173
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 162645914
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094867
N-Isopropyl-5-(3-methyl-1,2-oxazol-5-YL)-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-YL]pyrimidin-2-amine
CID 92417772
4-[5-(3-Methyl-1,2-oxazol-5-YL)-4-(5-methylthiophen-2-YL)pyrimidin-2-YL]morpholine
CID 95799409
[1-[4-[3-(3-Chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]azetidin-3-yl]-(1,2-thiazol-3-yl)methanone
CID 162649623
4-[5-(3-Methyl-1,2-oxazol-5-YL)-4-(5-methylthiophen-2-YL)pyrimidin-2-YL]thiomorpholine
CID 69088097
4-Isopropyl-5-(3-methyl-1,2-oxazol-5-YL)-2-(pyrrolidin-1-YL)pyrimidine
CID 73945339
1-[4-Isopropyl-5-(3-methyl-1,2-oxazol-5-YL)pyrimidin-2-YL]piperidine-4-carboxamide
CID 92421453
2-[4-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 165401417

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The IUPAC name of [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (CID 110213918) is [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is Cc1cc(-c2cncnc2C2CCCN(C(=O)c3cnsc3)C2)on1.
What is the InChIKey of [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The InChIKey is NTXZZFPZQBXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-5-15(24-21-11)14-7-18-10-19-16(14)12-3-2-4-22(8-12)17(23)13-6-20-25-9-13/h5-7,9-10,12H,2-4,8H2,1H3.
What are the key properties of [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone has a molecular weight of 355.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 110213918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).