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

C18H17N3O2 — CID 5032828

IUPAC5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(Cc2cccc3ccccc23)nc1C#N
InChIInChI=1S/C18H17N3O2/c1-22-10-9-20-18-16(12-19)21-17(23-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,20H,9-11H2,1H3
InChIKeyUDRTZALKWVTRKN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.35
Rot. Bonds6

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

5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 5032828) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID5032828
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(Cc2cccc3ccccc23)nc1C#N
InChIInChI=1S/C18H17N3O2/c1-22-10-9-20-18-16(12-19)21-17(23-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,20H,9-11H2,1H3
InChIKeyUDRTZALKWVTRKN-UHFFFAOYSA-N
XLogP3.35
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Methylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 664510
5-(Ethylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 974197
2-(Naphthalen-1-yl)-5-(propylamino)-1,3-oxazole-4-carbonitrile
CID 663428
2-(Naphthalen-1-yl)-5-(prop-2-en-1-ylamino)-1,3-oxazole-4-carbonitrile
CID 663890
5-[(Methylethyl)amino]-2-naphthyl-1,3-oxazole-4-carbonitrile
CID 663999
1-[4-Cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 664658
2-Naphthalen-1-yl-5-(pentylamino)-1,3-oxazole-4-carbonitrile
CID 49852806
5-(Butylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 70701476
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 663485
5-{[3-(Morpholin-4-yl)propyl]amino}-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 663974
5-(Isopropylamino)-2-(1-naphthylmethyl)-1,3-oxazole-4-carbonitrile
CID 664309
2-(Naphthalen-1-ylmethyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664387

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 5032828) is 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is COCCNc1oc(Cc2cccc3ccccc23)nc1C#N.
What is the InChIKey of 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is UDRTZALKWVTRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-10-9-20-18-16(12-19)21-17(23-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,20H,9-11H2,1H3.
What are the key properties of 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 5032828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).