benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole

C79H139N7O3S — CID 157477683

IUPACbenzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole
SMILESC1=CCCC1.C1=COCC1.C1=Cc2ccccc2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCCN1.c1cc2c([nH]1)CCCC2.c1ccccc1.c1ccncc1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C9H8.C8H11N.C6H12.C6H6.C5H5N.C5H8.C4H4N2.C4H7NO.C4H6O.C3H3NO.C3H3NS.11C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;6-4-2-1-3-5-4;1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h1-6H,7H2;5-6,9H,1-4H2;1-6H2;1-6H;1-5H;1-2H,3-5H2;1-4H;1-3H2,(H,5,6);1,3H,2,4H2;2*1-3H;11*1-2H3
InChIKeyBVUDOTOTHKFLBW-UHFFFAOYSA-N
MW1267.09 g/mol
LogP25.38
Rot. Bonds

About benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole

benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole (PubChem CID 157477683) has the molecular formula C79H139N7O3S and a molecular weight of 1267.09 g/mol. Its IUPAC name is benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole.

Molecular Properties

Compound Namebenzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole
PubChem CID157477683
Molecular FormulaC79H139N7O3S
Molecular Weight1267.09 g/mol
Exact Mass1266.07
IUPAC Namebenzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole
SMILESC1=CCCC1.C1=COCC1.C1=Cc2ccccc2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCCN1.c1cc2c([nH]1)CCCC2.c1ccccc1.c1ccncc1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C9H8.C8H11N.C6H12.C6H6.C5H5N.C5H8.C4H4N2.C4H7NO.C4H6O.C3H3NO.C3H3NS.11C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;6-4-2-1-3-5-4;1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h1-6H,7H2;5-6,9H,1-4H2;1-6H2;1-6H;1-5H;1-2H,3-5H2;1-4H;1-3H2,(H,5,6);1,3H,2,4H2;2*1-3H;11*1-2H3
InChIKeyBVUDOTOTHKFLBW-UHFFFAOYSA-N
XLogP25.38
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001267.09
LogP ≤ 525.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole?
The IUPAC name of benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole (CID 157477683) is benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole.
What is the SMILES notation for benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole?
The canonical SMILES for benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole is C1=CCCC1.C1=COCC1.C1=Cc2ccccc2C1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCCN1.c1cc2c([nH]1)CCCC2.c1ccccc1.c1ccncc1.c1cnccn1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole?
The InChIKey is BVUDOTOTHKFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H11N.C6H12.C6H6.C5H5N.C5H8.C4H4N2.C4H7NO.C4H6O.C3H3NO.C3H3NS.11C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;6-4-2-1-3-5-4;1-2-4-5-3-1;2*1-2-5-3-4-1;11*1-2/h1-6H,7H2;5-6,9H,1-4H2;1-6H2;1-6H;1-5H;1-2H,3-5H2;1-4H;1-3H2,(H,5,6);1,3H,2,4H2;2*1-3H;11*1-2H3.
What are the key properties of benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole?
benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole has a molecular weight of 1267.09 g/mol, XLogP of 25.38, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;cyclopentene;2,3-dihydrofuran;ethane;1H-indene;1,3-oxazole;pyrazine;pyridine;pyrrolidin-2-one;4,5,6,7-tetrahydro-1H-indole;1,3-thiazole is sourced from PubChem (CID 157477683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).