8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C27H23FN4O — CID 90175308

IUPAC8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(-c2ccc3[nH]c(-c4cn5c(n4)C(c4ccc(F)cc4C)OCC5)cc3c2)ccn1
InChIInChI=1S/C27H23FN4O/c1-16-11-21(28)4-5-22(16)26-27-31-25(15-32(27)9-10-33-26)24-14-20-13-18(3-6-23(20)30-24)19-7-8-29-17(2)12-19/h3-8,11-15,26,30H,9-10H2,1-2H3
InChIKeyBPXHIQGWNMTLJM-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.97
Rot. Bonds3

About 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 90175308) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID90175308
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(-c2ccc3[nH]c(-c4cn5c(n4)C(c4ccc(F)cc4C)OCC5)cc3c2)ccn1
InChIInChI=1S/C27H23FN4O/c1-16-11-21(28)4-5-22(16)26-27-31-25(15-32(27)9-10-33-26)24-14-20-13-18(3-6-23(20)30-24)19-7-8-29-17(2)12-19/h3-8,11-15,26,30H,9-10H2,1-2H3
InChIKeyBPXHIQGWNMTLJM-UHFFFAOYSA-N
XLogP5.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine 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 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 90175308) is 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is Cc1cc(-c2ccc3[nH]c(-c4cn5c(n4)C(c4ccc(F)cc4C)OCC5)cc3c2)ccn1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is BPXHIQGWNMTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-16-11-21(28)4-5-22(16)26-27-31-25(15-32(27)9-10-33-26)24-14-20-13-18(3-6-23(20)30-24)19-7-8-29-17(2)12-19/h3-8,11-15,26,30H,9-10H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 438.51 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 90175308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).