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

C24H29FN6O2 — CID 46231553

IUPAC2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyIZKXPLXSSGNVGJ-QGZVFWFLSA-N
MW452.53 g/mol
LogP3.16
Rot. Bonds8

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

2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 46231553) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID46231553
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyIZKXPLXSSGNVGJ-QGZVFWFLSA-N
XLogP3.16
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (CID 46231553) is 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is IZKXPLXSSGNVGJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46231553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).