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

C24H30N6O2 — CID 46231312

IUPAC2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)
InChIKeyYPQGHFUUPYKNGV-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.02
Rot. Bonds8

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

2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 46231312) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID46231312
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)
InChIKeyYPQGHFUUPYKNGV-UHFFFAOYSA-N
XLogP3.02
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (CID 46231312) is 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is CCCc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is YPQGHFUUPYKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31).
What are the key properties of 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46231312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).