(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H21N5O2 — CID 53195306

IUPAC(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1oc(C2CCC2)nc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O2/c1-12-14(20-15(24-12)13-4-2-5-13)16(23)21-8-10-22(11-9-21)17-18-6-3-7-19-17/h3,6-7,13H,2,4-5,8-11H2,1H3
InChIKeyRNDRVVFAEYNZLT-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.00
Rot. Bonds3

About (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 53195306) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID53195306
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1oc(C2CCC2)nc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O2/c1-12-14(20-15(24-12)13-4-2-5-13)16(23)21-8-10-22(11-9-21)17-18-6-3-7-19-17/h3,6-7,13H,2,4-5,8-11H2,1H3
InChIKeyRNDRVVFAEYNZLT-UHFFFAOYSA-N
XLogP2.00
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837767
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71837505
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
(2,4-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 84575538
(2,5-difluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837787
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 53195306) is (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1oc(C2CCC2)nc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RNDRVVFAEYNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-14(20-15(24-12)13-4-2-5-13)16(23)21-8-10-22(11-9-21)17-18-6-3-7-19-17/h3,6-7,13H,2,4-5,8-11H2,1H3.
What are the key properties of (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53195306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).