2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone

C24H26N4O4 — CID 10765271

IUPAC2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone
SMILES[H]/N=c1\oc2c(n1CC(=O)c1ccc(C(=O)Cn3c4c(o/c3=N\[H])CCCC4)cc1)CCCC2
InChIInChI=1S/C24H26N4O4/c25-23-27(17-5-1-3-7-21(17)31-23)13-19(29)15-9-11-16(12-10-15)20(30)14-28-18-6-2-4-8-22(18)32-24(28)26/h9-12,25-26H,1-8,13-14H2/b25-23-,26-24-
InChIKeyOEQUPCYFDMQVTM-YPAXQUSRSA-N
MW434.50 g/mol
LogP2.96
Rot. Bonds6

About 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone

2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone (PubChem CID 10765271) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone
PubChem CID10765271
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone
SMILES[H]/N=c1\oc2c(n1CC(=O)c1ccc(C(=O)Cn3c4c(o/c3=N\[H])CCCC4)cc1)CCCC2
InChIInChI=1S/C24H26N4O4/c25-23-27(17-5-1-3-7-21(17)31-23)13-19(29)15-9-11-16(12-10-15)20(30)14-28-18-6-2-4-8-22(18)32-24(28)26/h9-12,25-26H,1-8,13-14H2/b25-23-,26-24-
InChIKeyOEQUPCYFDMQVTM-YPAXQUSRSA-N
XLogP2.96
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone?
The IUPAC name of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone (CID 10765271) is 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone.
What is the SMILES notation for 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone?
The canonical SMILES for 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone is [H]/N=c1\oc2c(n1CC(=O)c1ccc(C(=O)Cn3c4c(o/c3=N\[H])CCCC4)cc1)CCCC2.
What is the InChIKey of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone?
The InChIKey is OEQUPCYFDMQVTM-YPAXQUSRSA-N. The full InChI is InChI=1S/C24H26N4O4/c25-23-27(17-5-1-3-7-21(17)31-23)13-19(29)15-9-11-16(12-10-15)20(30)14-28-18-6-2-4-8-22(18)32-24(28)26/h9-12,25-26H,1-8,13-14H2/b25-23-,26-24-.
What are the key properties of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone?
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone has a molecular weight of 434.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)-1-[4-[2-(2-imino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-yl)acetyl]phenyl]ethanone is sourced from PubChem (CID 10765271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).