4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide

C19H17ClFN3O3 — CID 139817299

IUPAC4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
SMILESCc1on(C(=O)N(c2ccc(F)cc2)C(C)C)c(=O)c1-c1cccnc1Cl
InChIInChI=1S/C19H17ClFN3O3/c1-11(2)23(14-8-6-13(21)7-9-14)19(26)24-18(25)16(12(3)27-24)15-5-4-10-22-17(15)20/h4-11H,1-3H3
InChIKeyIDBGNGGJWVEQBG-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.49
Rot. Bonds3

About 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide

4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide (PubChem CID 139817299) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
PubChem CID139817299
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
SMILESCc1on(C(=O)N(c2ccc(F)cc2)C(C)C)c(=O)c1-c1cccnc1Cl
InChIInChI=1S/C19H17ClFN3O3/c1-11(2)23(14-8-6-13(21)7-9-14)19(26)24-18(25)16(12(3)27-24)15-5-4-10-22-17(15)20/h4-11H,1-3H3
InChIKeyIDBGNGGJWVEQBG-UHFFFAOYSA-N
XLogP4.49
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The IUPAC name of 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide (CID 139817299) is 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide is Cc1on(C(=O)N(c2ccc(F)cc2)C(C)C)c(=O)c1-c1cccnc1Cl.
What is the InChIKey of 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The InChIKey is IDBGNGGJWVEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-11(2)23(14-8-6-13(21)7-9-14)19(26)24-18(25)16(12(3)27-24)15-5-4-10-22-17(15)20/h4-11H,1-3H3.
What are the key properties of 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide is sourced from PubChem (CID 139817299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).