1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one

C18H18N2O3 — CID 141228508

IUPAC1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
SMILESCOc1ccc2cc(C(=O)CCNc3cc(C)on3)ccc2c1
InChIInChI=1S/C18H18N2O3/c1-12-9-18(20-23-12)19-8-7-17(21)15-4-3-14-11-16(22-2)6-5-13(14)10-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyBIYLDSBKJDEEBE-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.83
Rot. Bonds6

About 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one

1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one (PubChem CID 141228508) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
PubChem CID141228508
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
SMILESCOc1ccc2cc(C(=O)CCNc3cc(C)on3)ccc2c1
InChIInChI=1S/C18H18N2O3/c1-12-9-18(20-23-12)19-8-7-17(21)15-4-3-14-11-16(22-2)6-5-13(14)10-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyBIYLDSBKJDEEBE-UHFFFAOYSA-N
XLogP3.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
CID 109041512
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
CID 110632475
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one (CID 141228508) is 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one is COc1ccc2cc(C(=O)CCNc3cc(C)on3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The InChIKey is BIYLDSBKJDEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-9-18(20-23-12)19-8-7-17(21)15-4-3-14-11-16(22-2)6-5-13(14)10-15/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one is sourced from PubChem (CID 141228508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).