5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

C21H19N3O3 — CID 663563

IUPAC5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1
InChIInChI=1S/C21H19N3O3/c22-14-19-21(24-10-12-25-13-11-24)27-20(23-19)17-6-8-18(9-7-17)26-15-16-4-2-1-3-5-16/h1-9H,10-13,15H2
InChIKeyHZTLXVNEBJZNBB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.63
Rot. Bonds5

About 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 663563) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID663563
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1
InChIInChI=1S/C21H19N3O3/c22-14-19-21(24-10-12-25-13-11-24)27-20(23-19)17-6-8-18(9-7-17)26-15-16-4-2-1-3-5-16/h1-9H,10-13,15H2
InChIKeyHZTLXVNEBJZNBB-UHFFFAOYSA-N
XLogP3.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 663563) is 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is HZTLXVNEBJZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c22-14-19-21(24-10-12-25-13-11-24)27-20(23-19)17-6-8-18(9-7-17)26-15-16-4-2-1-3-5-16/h1-9H,10-13,15H2.
What are the key properties of 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 361.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).