1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C21H20N4O2 — CID 664658

IUPAC1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H20N4O2/c22-13-18-21(25-10-8-15(9-11-25)20(23)26)27-19(24-18)12-16-6-3-5-14-4-1-2-7-17(14)16/h1-7,15H,8-12H2,(H2,23,26)
InChIKeyKMKVIQMAXUBNAB-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 664658) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID664658
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H20N4O2/c22-13-18-21(25-10-8-15(9-11-25)20(23)26)27-19(24-18)12-16-6-3-5-14-4-1-2-7-17(14)16/h1-7,15H,8-12H2,(H2,23,26)
InChIKeyKMKVIQMAXUBNAB-UHFFFAOYSA-N
XLogP2.99
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 5032828
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663485
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-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664454
5-(Methylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664883
2-Benzyl-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 1242497

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 664658) is 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is KMKVIQMAXUBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-13-18-21(25-10-8-15(9-11-25)20(23)26)27-19(24-18)12-16-6-3-5-14-4-1-2-7-17(14)16/h1-7,15H,8-12H2,(H2,23,26).
What are the key properties of 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 664658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).