N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide

C19H17ClFN3O2 — CID 178138546

IUPACN-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2noc(-c3cccnc3Cl)c2F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-19(2,3)11-6-8-12(9-7-11)23-18(25)15-14(21)16(26-24-15)13-5-4-10-22-17(13)20/h4-10H,1-3H3,(H,23,25)
InChIKeyIAAZRWBYPGYBIT-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.08
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide

N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide (PubChem CID 178138546) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide
PubChem CID178138546
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2noc(-c3cccnc3Cl)c2F)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-19(2,3)11-6-8-12(9-7-11)23-18(25)15-14(21)16(26-24-15)13-5-4-10-22-17(13)20/h4-10H,1-3H3,(H,23,25)
InChIKeyIAAZRWBYPGYBIT-UHFFFAOYSA-N
XLogP5.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
methyl N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
CID 71263010
5-(2,4-dichlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 1093818
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
5-(3-chlorophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 15988901
N-(2-chloropyridin-3-yl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 16188852
N-(2-Chloro-3-pyridinyl)-5-(3-hydroxyphenyl)-3-isoxazolecarboxamide
CID 17253018
5-phenyl-N-(3-pyridinyl)-3-isoxazolecarboxamide
CID 973865
5-phenyl-N-[3-(pyridine-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167732

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide (CID 178138546) is N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2noc(-c3cccnc3Cl)c2F)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide?
The InChIKey is IAAZRWBYPGYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-19(2,3)11-6-8-12(9-7-11)23-18(25)15-14(21)16(26-24-15)13-5-4-10-22-17(13)20/h4-10H,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide?
N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 178138546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).