(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone

C20H19FN4O3 — CID 91629951

IUPAC(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1F
InChIInChI=1S/C20H19FN4O3/c1-27-19-8-7-14(9-18(19)21)20(26)24-11-16(12-24)25-10-15(22-23-25)13-28-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3
InChIKeyATGFMJYHTCNDQM-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.70
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone (PubChem CID 91629951) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
PubChem CID91629951
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1F
InChIInChI=1S/C20H19FN4O3/c1-27-19-8-7-14(9-18(19)21)20(26)24-11-16(12-24)25-10-15(22-23-25)13-28-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3
InChIKeyATGFMJYHTCNDQM-UHFFFAOYSA-N
XLogP2.70
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone (CID 91629951) is (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone is COc1ccc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The InChIKey is ATGFMJYHTCNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-19-8-7-14(9-18(19)21)20(26)24-11-16(12-24)25-10-15(22-23-25)13-28-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone has a molecular weight of 382.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 91629951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).