butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate

C21H28N4O3 — CID 175805439

IUPACbutyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2nc(C3CC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C21H28N4O3/c1-3-4-11-27-21(26)25-9-7-15(8-10-25)19-17(18-12-14(2)24-28-18)13-22-20(23-19)16-5-6-16/h12-13,15-16H,3-11H2,1-2H3
InChIKeyMCMYUINWBZWQEH-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.43
Rot. Bonds6

About butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate

butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 175805439) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID175805439
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Namebutyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2nc(C3CC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C21H28N4O3/c1-3-4-11-27-21(26)25-9-7-15(8-10-25)19-17(18-12-14(2)24-28-18)13-22-20(23-19)16-5-6-16/h12-13,15-16H,3-11H2,1-2H3
InChIKeyMCMYUINWBZWQEH-UHFFFAOYSA-N
XLogP4.43
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate 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

1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate
CID 175805510
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92554339
2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92554353
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 98076063
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 92554340
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670370
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
(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-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 46962305

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate (CID 175805439) is butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2nc(C3CC3)ncc2-c2cc(C)no2)CC1.
What is the InChIKey of butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is MCMYUINWBZWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-4-11-27-21(26)25-9-7-15(8-10-25)19-17(18-12-14(2)24-28-18)13-22-20(23-19)16-5-6-16/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate?
butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 175805439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).