5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C29H34F2N4O4 — CID 134210425

IUPAC5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]([C@@H](C)O)N1CC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@H](C(=O)N(C)CCc2ccccc2)C1
InChIInChI=1S/C29H34F2N4O4/c1-18(19(2)36)35-14-12-25(23(17-35)29(38)34(3)13-11-20-7-5-4-6-8-20)32-28(37)26-16-27(39-33-26)22-10-9-21(30)15-24(22)31/h4-10,15-16,18-19,23,25,36H,11-14,17H2,1-3H3,(H,32,37)/t18-,19-,23-,25-/m1/s1
InChIKeyBOIHYSKCFPMZJY-AMZPDFMZSA-N
MW540.61 g/mol
LogP3.51
Rot. Bonds9

About 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 134210425) has the molecular formula C29H34F2N4O4 and a molecular weight of 540.61 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID134210425
Molecular FormulaC29H34F2N4O4
Molecular Weight540.61 g/mol
Exact Mass540.25
IUPAC Name5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]([C@@H](C)O)N1CC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@H](C(=O)N(C)CCc2ccccc2)C1
InChIInChI=1S/C29H34F2N4O4/c1-18(19(2)36)35-14-12-25(23(17-35)29(38)34(3)13-11-20-7-5-4-6-8-20)32-28(37)26-16-27(39-33-26)22-10-9-21(30)15-24(22)31/h4-10,15-16,18-19,23,25,36H,11-14,17H2,1-3H3,(H,32,37)/t18-,19-,23-,25-/m1/s1
InChIKeyBOIHYSKCFPMZJY-AMZPDFMZSA-N
XLogP3.51
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 134210425) is 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is C[C@H]([C@@H](C)O)N1CC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@H](C(=O)N(C)CCc2ccccc2)C1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BOIHYSKCFPMZJY-AMZPDFMZSA-N. The full InChI is InChI=1S/C29H34F2N4O4/c1-18(19(2)36)35-14-12-25(23(17-35)29(38)34(3)13-11-20-7-5-4-6-8-20)32-28(37)26-16-27(39-33-26)22-10-9-21(30)15-24(22)31/h4-10,15-16,18-19,23,25,36H,11-14,17H2,1-3H3,(H,32,37)/t18-,19-,23-,25-/m1/s1.
What are the key properties of 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 540.61 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[(3R,4R)-1-[(2R,3R)-3-hydroxybutan-2-yl]-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134210425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).