(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

C18H18FN3O3 — CID 136564567

IUPAC(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2(C)CN(C(=O)c3cc(F)cc4ccoc34)CCO2)cn1
InChIInChI=1S/C18H18FN3O3/c1-18(13-9-20-21(2)10-13)11-22(4-6-25-18)17(23)15-8-14(19)7-12-3-5-24-16(12)15/h3,5,7-10H,4,6,11H2,1-2H3
InChIKeyUGYXGWLOMQITPQ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.69
Rot. Bonds2

About (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 136564567) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID136564567
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc(C2(C)CN(C(=O)c3cc(F)cc4ccoc34)CCO2)cn1
InChIInChI=1S/C18H18FN3O3/c1-18(13-9-20-21(2)10-13)11-22(4-6-25-18)17(23)15-8-14(19)7-12-3-5-24-16(12)15/h3,5,7-10H,4,6,11H2,1-2H3
InChIKeyUGYXGWLOMQITPQ-UHFFFAOYSA-N
XLogP2.69
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (CID 136564567) is (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is Cn1cc(C2(C)CN(C(=O)c3cc(F)cc4ccoc34)CCO2)cn1.
What is the InChIKey of (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is UGYXGWLOMQITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-18(13-9-20-21(2)10-13)11-22(4-6-25-18)17(23)15-8-14(19)7-12-3-5-24-16(12)15/h3,5,7-10H,4,6,11H2,1-2H3.
What are the key properties of (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
(5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 343.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-7-yl)-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 136564567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).