N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C28H23FN6O3 — CID 156906401

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C28H23FN6O3/c29-22-8-4-6-20(14-22)11-13-31-27(36)26(21-7-5-12-30-15-21)35(28(37)25-18-38-19-32-25)24-16-33-34(17-24)23-9-2-1-3-10-23/h1-10,12,14-19,26H,11,13H2,(H,31,36)
InChIKeyOXMQDLBJPKYXDF-UHFFFAOYSA-N
MW510.53 g/mol
LogP4.14
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906401) has the molecular formula C28H23FN6O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906401
Molecular FormulaC28H23FN6O3
Molecular Weight510.53 g/mol
Exact Mass510.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C28H23FN6O3/c29-22-8-4-6-20(14-22)11-13-31-27(36)26(21-7-5-12-30-15-21)35(28(37)25-18-38-19-32-25)24-16-33-34(17-24)23-9-2-1-3-10-23/h1-10,12,14-19,26H,11,13H2,(H,31,36)
InChIKeyOXMQDLBJPKYXDF-UHFFFAOYSA-N
XLogP4.14
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-d0876c20-5
CID 156906465
ALP-POS-d0876c20-21
CID 156906473
ALP-POS-88a7a97e-39
CID 156906533
ALP-POS-ced8ea4d-16
CID 156906593
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)-1H-pyrazole-3-carboxamide
CID 129032603
ALP-POS-95f71980-3
CID 156906386
ALP-POS-95f71980-10
CID 156906389
ALP-POS-95f71980-15
CID 156906392
ALP-POS-95f71980-27
CID 156906402
ALP-POS-95f71980-28
CID 156906403

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 156906401) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is OXMQDLBJPKYXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O3/c29-22-8-4-6-20(14-22)11-13-31-27(36)26(21-7-5-12-30-15-21)35(28(37)25-18-38-19-32-25)24-16-33-34(17-24)23-9-2-1-3-10-23/h1-10,12,14-19,26H,11,13H2,(H,31,36).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).