N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H19FN4O3S — CID 24668528

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1F
InChIInChI=1S/C22H19FN4O3S/c1-12-5-6-14(10-16(12)23)20(28)24-7-8-25-21(29)15-11-17(18-4-3-9-31-18)26-22-19(15)13(2)27-30-22/h3-6,9-11H,7-8H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyLDDSDQIQOQZXNI-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.87
Rot. Bonds6

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24668528) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24668528
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1F
InChIInChI=1S/C22H19FN4O3S/c1-12-5-6-14(10-16(12)23)20(28)24-7-8-25-21(29)15-11-17(18-4-3-9-31-18)26-22-19(15)13(2)27-30-22/h3-6,9-11H,7-8H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyLDDSDQIQOQZXNI-UHFFFAOYSA-N
XLogP3.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24668528) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LDDSDQIQOQZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-12-5-6-14(10-16(12)23)20(28)24-7-8-25-21(29)15-11-17(18-4-3-9-31-18)26-22-19(15)13(2)27-30-22/h3-6,9-11H,7-8H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24668528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).