UNEFDMSKCINZHI-UHFFFAOYSA-N

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

C₂₉H₂₄F₃N₅O₄ — CID 135302464

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

IUPAC[4-[(5-methyl-1,3-oxazol-2-yl)-phenylmethyl]piperazin-1-yl]-[4-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone

SMILESCc1cnc(C(c2ccccc2)N2CCN(C(=O)c3cc(-c4nc5cc(OC(F)(F)F)ccc5o4)ccn3)CC2)o1

InChIInChI=1S/C29H24F3N5O4/c1-18-17-34-27(39-18)25(19-5-3-2-4-6-19)36-11-13-37(14-12-36)28(38)23-15-20(9-10-33-23)26-35-22-16-21(41-29(30,31)32)7-8-24(22)40-26/h2-10,15-17,25H,11-14H2,1H3

InChIKeyUNEFDMSKCINZHI-UHFFFAOYSA-N

MW563.54 g/mol

LogP5.63

Rot. Bonds6

About UNEFDMSKCINZHI-UHFFFAOYSA-N

UNEFDMSKCINZHI-UHFFFAOYSA-N (PubChem CID 135302464) has the molecular formula C₂₉H₂₄F₃N₅O₄ and a molecular weight of 563.54 g/mol. Its IUPAC name is [4-[(5-methyl-1,3-oxazol-2-yl)-phenylmethyl]piperazin-1-yl]-[4-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name	UNEFDMSKCINZHI-UHFFFAOYSA-N
PubChem CID	135302464
Molecular Formula	C₂₉H₂₄F₃N₅O₄
Molecular Weight	563.54 g/mol
Exact Mass	563.18
IUPAC Name	[4-[(5-methyl-1,3-oxazol-2-yl)-phenylmethyl]piperazin-1-yl]-[4-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone
SMILES	Cc1cnc(C(c2ccccc2)N2CCN(C(=O)c3cc(-c4nc5cc(OC(F)(F)F)ccc5o4)ccn3)CC2)o1
InChI	InChI=1S/C29H24F3N5O4/c1-18-17-34-27(39-18)25(19-5-3-2-4-6-19)36-11-13-37(14-12-36)28(38)23-15-20(9-10-33-23)26-35-22-16-21(41-29(30,31)32)7-8-24(22)40-26/h2-10,15-17,25H,11-14H2,1H3
InChIKey	UNEFDMSKCINZHI-UHFFFAOYSA-N
XLogP	5.63
TPSA	97.73 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.54
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of UNEFDMSKCINZHI-UHFFFAOYSA-N (CID 135302464) is [4-[(5-methyl-1,3-oxazol-2-yl)-phenylmethyl]piperazin-1-yl]-[4-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone.

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

The canonical SMILES for UNEFDMSKCINZHI-UHFFFAOYSA-N is Cc1cnc(C(c2ccccc2)N2CCN(C(=O)c3cc(-c4nc5cc(OC(F)(F)F)ccc5o4)ccn3)CC2)o1.

What is the InChIKey of UNEFDMSKCINZHI-UHFFFAOYSA-N?

The InChIKey is UNEFDMSKCINZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O4/c1-18-17-34-27(39-18)25(19-5-3-2-4-6-19)36-11-13-37(14-12-36)28(38)23-15-20(9-10-33-23)26-35-22-16-21(41-29(30,31)32)7-8-24(22)40-26/h2-10,15-17,25H,11-14H2,1H3.

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

UNEFDMSKCINZHI-UHFFFAOYSA-N has a molecular weight of 563.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for UNEFDMSKCINZHI-UHFFFAOYSA-N is sourced from PubChem (CID 135302464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135302464 — identifiers, structure, computed properties (public domain)

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