6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one

C20H19N3O2 — CID 1205751

IUPAC6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
SMILESCN1C(=C/C=N/c2ccc3[nH]c(=O)oc3c2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-20(2)14-6-4-5-7-16(14)23(3)18(20)10-11-21-13-8-9-15-17(12-13)25-19(24)22-15/h4-12H,1-3H3,(H,22,24)/b18-10?,21-11+
InChIKeyCZBTYXAUNVTUBK-FZCBZZDJSA-N
MW333.39 g/mol
LogP4.13
Rot. Bonds2

About 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one

6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one (PubChem CID 1205751) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
PubChem CID1205751
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
SMILESCN1C(=C/C=N/c2ccc3[nH]c(=O)oc3c2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-20(2)14-6-4-5-7-16(14)23(3)18(20)10-11-21-13-8-9-15-17(12-13)25-19(24)22-15/h4-12H,1-3H3,(H,22,24)/b18-10?,21-11+
InChIKeyCZBTYXAUNVTUBK-FZCBZZDJSA-N
XLogP4.13
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135796357
10-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101250838
10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101199233

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one (CID 1205751) is 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one is CN1C(=C/C=N/c2ccc3[nH]c(=O)oc3c2)C(C)(C)c2ccccc21.
What is the InChIKey of 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is CZBTYXAUNVTUBK-FZCBZZDJSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-20(2)14-6-4-5-7-16(14)23(3)18(20)10-11-21-13-8-9-15-17(12-13)25-19(24)22-15/h4-12H,1-3H3,(H,22,24)/b18-10?,21-11+.
What are the key properties of 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one?
6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 333.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 1205751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).