LADCWUROFRTCSA-UHFFFAOYSA-N

Name: LADCWUROFRTCSA-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₄F₃N₃O₃ — CID 118161878

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(3-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

SMILESCn1cncc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12

InChIInChI=1S/C19H14F3N3O3/c1-25-11-23-9-14(25)10-26-18-16-8-13(4-7-17(16)28-24-18)12-2-5-15(6-3-12)27-19(20,21)22/h2-9,11H,10H2,1H3

InChIKeyLADCWUROFRTCSA-UHFFFAOYSA-N

MW389.33 g/mol

LogP4.71

Rot. Bonds5

About LADCWUROFRTCSA-UHFFFAOYSA-N

LADCWUROFRTCSA-UHFFFAOYSA-N (PubChem CID 118161878) has the molecular formula C₁₉H₁₄F₃N₃O₃ and a molecular weight of 389.33 g/mol. Its IUPAC name is 3-[(3-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name	LADCWUROFRTCSA-UHFFFAOYSA-N
PubChem CID	118161878
Molecular Formula	C₁₉H₁₄F₃N₃O₃
Molecular Weight	389.33 g/mol
Exact Mass	389.10
IUPAC Name	3-[(3-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILES	Cn1cncc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChI	InChI=1S/C19H14F3N3O3/c1-25-11-23-9-14(25)10-26-18-16-8-13(4-7-17(16)28-24-18)12-2-5-15(6-3-12)27-19(20,21)22/h2-9,11H,10H2,1H3
InChIKey	LADCWUROFRTCSA-UHFFFAOYSA-N
XLogP	4.71
TPSA	62.31 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.33
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of LADCWUROFRTCSA-UHFFFAOYSA-N?

The IUPAC name of LADCWUROFRTCSA-UHFFFAOYSA-N (CID 118161878) is 3-[(3-methylimidazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for LADCWUROFRTCSA-UHFFFAOYSA-N?

The canonical SMILES for LADCWUROFRTCSA-UHFFFAOYSA-N is Cn1cncc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.

What is the InChIKey of LADCWUROFRTCSA-UHFFFAOYSA-N?

The InChIKey is LADCWUROFRTCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-25-11-23-9-14(25)10-26-18-16-8-13(4-7-17(16)28-24-18)12-2-5-15(6-3-12)27-19(20,21)22/h2-9,11H,10H2,1H3.

What are the key properties of LADCWUROFRTCSA-UHFFFAOYSA-N?

LADCWUROFRTCSA-UHFFFAOYSA-N has a molecular weight of 389.33 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for LADCWUROFRTCSA-UHFFFAOYSA-N is sourced from PubChem (CID 118161878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118161878 — identifiers, structure, computed properties (public domain)

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