2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone

C19H19FN4O2 — CID 58449318

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C)o1
InChIInChI=1S/C19H19FN4O2/c1-11-18(24-12(2)26-11)17(25)9-13-5-6-15(20)14(8-13)10-23-16-4-3-7-22-19(16)21/h3-8,23H,9-10H2,1-2H3,(H2,21,22)
InChIKeyNNCSOCVJTLNSRP-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.45
Rot. Bonds6

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone (PubChem CID 58449318) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
PubChem CID58449318
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
SMILESCc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C)o1
InChIInChI=1S/C19H19FN4O2/c1-11-18(24-12(2)26-11)17(25)9-13-5-6-15(20)14(8-13)10-23-16-4-3-7-22-19(16)21/h3-8,23H,9-10H2,1-2H3,(H2,21,22)
InChIKeyNNCSOCVJTLNSRP-UHFFFAOYSA-N
XLogP3.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone (CID 58449318) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone is Cc1nc(C(=O)Cc2ccc(F)c(CNc3cccnc3N)c2)c(C)o1.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is NNCSOCVJTLNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-18(24-12(2)26-11)17(25)9-13-5-6-15(20)14(8-13)10-23-16-4-3-7-22-19(16)21/h3-8,23H,9-10H2,1-2H3,(H2,21,22).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 354.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 58449318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).