1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

C16H18FN5O — CID 121351230

IUPAC1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCCc1c(F)ccnc1CN1C=C(N)N=C(c2ncco2)C1C
InChIInChI=1S/C16H18FN5O/c1-3-11-12(17)4-5-19-13(11)8-22-9-14(18)21-15(10(22)2)16-20-6-7-23-16/h4-7,9-10H,3,8,18H2,1-2H3
InChIKeyWPJUSSSEFIRDNY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.22
Rot. Bonds4

About 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine

1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (PubChem CID 121351230) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.

Molecular Properties

Compound Name1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
PubChem CID121351230
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
SMILESCCc1c(F)ccnc1CN1C=C(N)N=C(c2ncco2)C1C
InChIInChI=1S/C16H18FN5O/c1-3-11-12(17)4-5-19-13(11)8-22-9-14(18)21-15(10(22)2)16-20-6-7-23-16/h4-7,9-10H,3,8,18H2,1-2H3
InChIKeyWPJUSSSEFIRDNY-UHFFFAOYSA-N
XLogP2.22
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The IUPAC name of 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine (CID 121351230) is 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine.
What is the SMILES notation for 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The canonical SMILES for 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is CCc1c(F)ccnc1CN1C=C(N)N=C(c2ncco2)C1C.
What is the InChIKey of 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
The InChIKey is WPJUSSSEFIRDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-3-11-12(17)4-5-19-13(11)8-22-9-14(18)21-15(10(22)2)16-20-6-7-23-16/h4-7,9-10H,3,8,18H2,1-2H3.
What are the key properties of 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine?
1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine has a molecular weight of 315.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine is sourced from PubChem (CID 121351230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).