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

C25H22FN5O — CID 90174625

IUPAC8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2cc(-c3cc4cc(-c5cnn(C)c5)ccc4[nH]3)nc21
InChIInChI=1S/C25H22FN5O/c1-15-9-19(26)4-5-20(15)24-25-29-23(14-31(25)7-8-32-24)22-11-17-10-16(3-6-21(17)28-22)18-12-27-30(2)13-18/h3-6,9-14,24,28H,7-8H2,1-2H3
InChIKeyMAFSNAGKCDRWSB-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.00
Rot. Bonds3

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

8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 90174625) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID90174625
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2cc(-c3cc4cc(-c5cnn(C)c5)ccc4[nH]3)nc21
InChIInChI=1S/C25H22FN5O/c1-15-9-19(26)4-5-20(15)24-25-29-23(14-31(25)7-8-32-24)22-11-17-10-16(3-6-21(17)28-22)18-12-27-30(2)13-18/h3-6,9-14,24,28H,7-8H2,1-2H3
InChIKeyMAFSNAGKCDRWSB-UHFFFAOYSA-N
XLogP5.00
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 90174625) is 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is Cc1cc(F)ccc1C1OCCn2cc(-c3cc4cc(-c5cnn(C)c5)ccc4[nH]3)nc21.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is MAFSNAGKCDRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-15-9-19(26)4-5-20(15)24-25-29-23(14-31(25)7-8-32-24)22-11-17-10-16(3-6-21(17)28-22)18-12-27-30(2)13-18/h3-6,9-14,24,28H,7-8H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 427.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 90174625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).