(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H18N2O4 — CID 8949491

IUPAC(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)Nc3cc(C)on3)cc2c1
InChIInChI=1S/C18H18N2O4/c1-11-8-17(20-24-11)19-18(21)12(2)23-16-7-5-13-4-6-15(22-3)9-14(13)10-16/h4-10,12H,1-3H3,(H,19,20,21)/t12-/m0/s1
InChIKeyLMHBGWCTHUNIDO-LBPRGKRZSA-N
MW326.35 g/mol
LogP3.55
Rot. Bonds5

About (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 8949491) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID8949491
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)Nc3cc(C)on3)cc2c1
InChIInChI=1S/C18H18N2O4/c1-11-8-17(20-24-11)19-18(21)12(2)23-16-7-5-13-4-6-15(22-3)9-14(13)10-16/h4-10,12H,1-3H3,(H,19,20,21)/t12-/m0/s1
InChIKeyLMHBGWCTHUNIDO-LBPRGKRZSA-N
XLogP3.55
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384931
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(4-methylphenyl)propanamide
CID 7652482
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24534310
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenoxy)propanamide
CID 18097177
(2S)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652621
(2R)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 8949491) is (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc2ccc(O[C@@H](C)C(=O)Nc3cc(C)on3)cc2c1.
What is the InChIKey of (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is LMHBGWCTHUNIDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-8-17(20-24-11)19-18(21)12(2)23-16-7-5-13-4-6-15(22-3)9-14(13)10-16/h4-10,12H,1-3H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 326.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 8949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).