7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile

C19H16FN3O2 — CID 68584434

IUPAC7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILESCc1c(-c2ccccc2)c(F)c2oc(N3CCOCC3)nc2c1C#N
InChIInChI=1S/C19H16FN3O2/c1-12-14(11-21)17-18(16(20)15(12)13-5-3-2-4-6-13)25-19(22-17)23-7-9-24-10-8-23/h2-6H,7-10H2,1H3
InChIKeyHFRMILXOVHEKLL-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.65
Rot. Bonds2

About 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile

7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile (PubChem CID 68584434) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile.

Molecular Properties

Compound Name7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile
PubChem CID68584434
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILESCc1c(-c2ccccc2)c(F)c2oc(N3CCOCC3)nc2c1C#N
InChIInChI=1S/C19H16FN3O2/c1-12-14(11-21)17-18(16(20)15(12)13-5-3-2-4-6-13)25-19(22-17)23-7-9-24-10-8-23/h2-6H,7-10H2,1H3
InChIKeyHFRMILXOVHEKLL-UHFFFAOYSA-N
XLogP3.65
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile?
The IUPAC name of 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile (CID 68584434) is 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile.
What is the SMILES notation for 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile?
The canonical SMILES for 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile is Cc1c(-c2ccccc2)c(F)c2oc(N3CCOCC3)nc2c1C#N.
What is the InChIKey of 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile?
The InChIKey is HFRMILXOVHEKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-14(11-21)17-18(16(20)15(12)13-5-3-2-4-6-13)25-19(22-17)23-7-9-24-10-8-23/h2-6H,7-10H2,1H3.
What are the key properties of 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile?
7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile has a molecular weight of 337.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-2-morpholin-4-yl-6-phenyl-1,3-benzoxazole-4-carbonitrile is sourced from PubChem (CID 68584434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).