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

C19H17N3O2 — CID 663587

IUPAC5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
InChIInChI=1S/C19H17N3O2/c20-13-17-19(22-8-10-23-11-9-22)24-18(21-17)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-12H2
InChIKeyUPEGRLZFNBHGIN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds3

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

5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 663587) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID663587
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
InChIInChI=1S/C19H17N3O2/c20-13-17-19(22-8-10-23-11-9-22)24-18(21-17)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-12H2
InChIKeyUPEGRLZFNBHGIN-UHFFFAOYSA-N
XLogP3.13
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 663587) is 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is UPEGRLZFNBHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-13-17-19(22-8-10-23-11-9-22)24-18(21-17)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-12H2.
What are the key properties of 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).