5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile

C19H18N4O — CID 121402466

IUPAC5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCC1CNC1
InChIInChI=1S/C19H18N4O/c20-10-17-19(22-9-8-13-11-21-12-13)24-18(23-17)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,21-22H,8-9,11-12H2
InChIKeyBVCXUQNIPVRCQO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.39
Rot. Bonds5

About 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile

5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 121402466) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID121402466
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCC1CNC1
InChIInChI=1S/C19H18N4O/c20-10-17-19(22-9-8-13-11-21-12-13)24-18(23-17)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,21-22H,8-9,11-12H2
InChIKeyBVCXUQNIPVRCQO-UHFFFAOYSA-N
XLogP3.39
TPSA73.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-[4-Cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 2408550
2-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 892559
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
5-Amino-2-(1-naphthalenyl)-4-oxazolecarbonitrile
CID 44142076
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
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 71656062

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 121402466) is 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc3ccccc23)oc1NCCC1CNC1.
What is the InChIKey of 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is BVCXUQNIPVRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-10-17-19(22-9-8-13-11-21-12-13)24-18(23-17)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,21-22H,8-9,11-12H2.
What are the key properties of 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 121402466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).