N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine

C18H18N2O — CID 56666027

IUPACN-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(C)Cc1coc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N2O/c1-3-11-20(2)12-15-13-21-18(19-15)17-10-6-8-14-7-4-5-9-16(14)17/h3-10,13H,1,11-12H2,2H3
InChIKeyOIQKOIDYVRNCAR-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds5

About N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine

N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 56666027) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID56666027
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(C)Cc1coc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H18N2O/c1-3-11-20(2)12-15-13-21-18(19-15)17-10-6-8-14-7-4-5-9-16(14)17/h3-10,13H,1,11-12H2,2H3
InChIKeyOIQKOIDYVRNCAR-UHFFFAOYSA-N
XLogP4.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 56658620
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine
CID 56658337
2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56665274
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56672763
2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56682911
3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one
CID 56658463
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylaniline
CID 56661731
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
CID 79269730
ethenyl-dimethyl-(10-naphthalen-1-ylanthracen-9-yl)silane
CID 123394988
N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
CID 56668881

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine (CID 56666027) is N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine is C=CCN(C)Cc1coc(-c2cccc3ccccc23)n1.
What is the InChIKey of N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is OIQKOIDYVRNCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-11-20(2)12-15-13-21-18(19-15)17-10-6-8-14-7-4-5-9-16(14)17/h3-10,13H,1,11-12H2,2H3.
What are the key properties of N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 278.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 56666027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).