N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

C29H30FN5O4 — CID 156906470

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1nccnc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H30FN5O4/c1-29(2,3)20-8-10-22(11-9-20)35(28(37)23-17-39-18-34-23)25(24-27(38-4)33-15-14-31-24)26(36)32-13-12-19-6-5-7-21(30)16-19/h5-11,14-18,25H,12-13H2,1-4H3,(H,32,36)
InChIKeyVXERXFBZBNHAGQ-UHFFFAOYSA-N
MW531.59 g/mol
LogP4.66
Rot. Bonds9

About N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906470) has the molecular formula C29H30FN5O4 and a molecular weight of 531.59 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906470
Molecular FormulaC29H30FN5O4
Molecular Weight531.59 g/mol
Exact Mass531.23
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1nccnc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H30FN5O4/c1-29(2,3)20-8-10-22(11-9-20)35(28(37)23-17-39-18-34-23)25(24-27(38-4)33-15-14-31-24)26(36)32-13-12-19-6-5-7-21(30)16-19/h5-11,14-18,25H,12-13H2,1-4H3,(H,32,36)
InChIKeyVXERXFBZBNHAGQ-UHFFFAOYSA-N
XLogP4.66
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-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 N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (CID 156906470) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is COc1nccnc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VXERXFBZBNHAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O4/c1-29(2,3)20-8-10-22(11-9-20)35(28(37)23-17-39-18-34-23)25(24-27(38-4)33-15-14-31-24)26(36)32-13-12-19-6-5-7-21(30)16-19/h5-11,14-18,25H,12-13H2,1-4H3,(H,32,36).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-(3-methoxypyrazin-2-yl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).