6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H13FN4O2S — CID 119055750

IUPAC6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)N/N=C/c3ccc(F)s3)c12
InChIInChI=1S/C16H13FN4O2S/c1-8-14-11(6-12(9-2-3-9)19-16(14)23-21-8)15(22)20-18-7-10-4-5-13(17)24-10/h4-7,9H,2-3H2,1H3,(H,20,22)/b18-7+
InChIKeyYFRYLBIMMQNVBS-CNHKJKLMSA-N
MW344.37 g/mol
LogP3.37
Rot. Bonds4

About 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119055750) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119055750
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)N/N=C/c3ccc(F)s3)c12
InChIInChI=1S/C16H13FN4O2S/c1-8-14-11(6-12(9-2-3-9)19-16(14)23-21-8)15(22)20-18-7-10-4-5-13(17)24-10/h4-7,9H,2-3H2,1H3,(H,20,22)/b18-7+
InChIKeyYFRYLBIMMQNVBS-CNHKJKLMSA-N
XLogP3.37
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 171130838
6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119055774
6-cyclopropyl-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26038847
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013
6-cyclopropyl-N-(1-cyclopropylpiperidin-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43052887
6-cyclopropyl-3-methyl-N-(3-methylsulfanylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45494973
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
N-[2-(cyclopropanecarbonylamino)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322772
3-[4-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 119252104
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119055750) is 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)N/N=C/c3ccc(F)s3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YFRYLBIMMQNVBS-CNHKJKLMSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-8-14-11(6-12(9-2-3-9)19-16(14)23-21-8)15(22)20-18-7-10-4-5-13(17)24-10/h4-7,9H,2-3H2,1H3,(H,20,22)/b18-7+.
What are the key properties of 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119055750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).