2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile

C17H15N3O — CID 663999

IUPAC2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C17H15N3O/c1-11(2)19-17-15(10-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,19H,1-2H3
InChIKeyRGSLYFVYRJABDN-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.19
Rot. Bonds3

About 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile

2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 663999) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile
PubChem CID663999
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C17H15N3O/c1-11(2)19-17-15(10-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,19H,1-2H3
InChIKeyRGSLYFVYRJABDN-UHFFFAOYSA-N
XLogP4.19
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile (CID 663999) is 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile is CC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N.
What is the InChIKey of 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is RGSLYFVYRJABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11(2)19-17-15(10-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,19H,1-2H3.
What are the key properties of 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile?
2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).