6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide

C20H21FN4O2 — CID 68937596

IUPAC6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H21FN4O2/c1-12(2)24-20(26)15-7-8-18(22-10-15)23-11-17-13(3)27-25-19(17)14-5-4-6-16(21)9-14/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyIXMRVHDVAYSNHI-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.93
Rot. Bonds6

About 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide

6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 68937596) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID68937596
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C20H21FN4O2/c1-12(2)24-20(26)15-7-8-18(22-10-15)23-11-17-13(3)27-25-19(17)14-5-4-6-16(21)9-14/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyIXMRVHDVAYSNHI-UHFFFAOYSA-N
XLogP3.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide (CID 68937596) is 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide is Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NC(C)C)cn1.
What is the InChIKey of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is IXMRVHDVAYSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(2)24-20(26)15-7-8-18(22-10-15)23-11-17-13(3)27-25-19(17)14-5-4-6-16(21)9-14/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide?
6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 68937596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).