3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide

C19H28N6O2 — CID 30889571

IUPAC3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6O2/c1-14(2)17-16(15(3)23-27-17)18(26)20-8-5-9-24-10-12-25(13-11-24)19-21-6-4-7-22-19/h4,6-7,14H,5,8-13H2,1-3H3,(H,20,26)
InChIKeyGGSFSCNKLULGNM-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.84
Rot. Bonds7

About 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 30889571) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID30889571
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6O2/c1-14(2)17-16(15(3)23-27-17)18(26)20-8-5-9-24-10-12-25(13-11-24)19-21-6-4-7-22-19/h4,6-7,14H,5,8-13H2,1-3H3,(H,20,26)
InChIKeyGGSFSCNKLULGNM-UHFFFAOYSA-N
XLogP1.84
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 39540577
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide (CID 30889571) is 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GGSFSCNKLULGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14(2)17-16(15(3)23-27-17)18(26)20-8-5-9-24-10-12-25(13-11-24)19-21-6-4-7-22-19/h4,6-7,14H,5,8-13H2,1-3H3,(H,20,26).
What are the key properties of 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30889571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).