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

C21H21N3O — CID 664454

IUPAC5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C21H21N3O/c1-15-9-11-24(12-10-15)21-19(14-22)23-20(25-21)13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15H,9-13H2,1H3
InChIKeyVCBAMHBXHPKNGD-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.53
Rot. Bonds3

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

5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664454) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID664454
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C21H21N3O/c1-15-9-11-24(12-10-15)21-19(14-22)23-20(25-21)13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15H,9-13H2,1H3
InChIKeyVCBAMHBXHPKNGD-UHFFFAOYSA-N
XLogP4.53
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 5032828
1-[4-Cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 664658
5-(3-Methylpiperidin-1-yl)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663721
2-Benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 663972
5-{[3-(Morpholin-4-yl)propyl]amino}-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 663974
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663986
5-(Isopropylamino)-2-(1-naphthylmethyl)-1,3-oxazole-4-carbonitrile
CID 664309
2-(Naphthalen-1-yl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664328
2-(Naphthalen-1-ylmethyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664387
5-(Methylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664883
2-Benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 829934
2-Benzyl-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 1242497

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 664454) is 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is VCBAMHBXHPKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-9-11-24(12-10-15)21-19(14-22)23-20(25-21)13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15H,9-13H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 331.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).