3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide

C24H22N2O3 — CID 43020525

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-16-22(17(2)29-25-16)15-28-23-14-19-10-8-7-9-18(19)13-21(23)24(27)26(3)20-11-5-4-6-12-20/h4-14H,15H2,1-3H3
InChIKeyYTBVGGWKHKFURC-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.30
Rot. Bonds5

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide (PubChem CID 43020525) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
PubChem CID43020525
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-16-22(17(2)29-25-16)15-28-23-14-19-10-8-7-9-18(19)13-21(23)24(27)26(3)20-11-5-4-6-12-20/h4-14H,15H2,1-3H3
InChIKeyYTBVGGWKHKFURC-UHFFFAOYSA-N
XLogP5.30
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 99814935
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 30750024
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 55973311
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237157
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 55337018
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55753725
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 38285185
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2639635
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 9097764
[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237251

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide (CID 43020525) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)c1ccccc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide?
The InChIKey is YTBVGGWKHKFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-22(17(2)29-25-16)15-28-23-14-19-10-8-7-9-18(19)13-21(23)24(27)26(3)20-11-5-4-6-12-20/h4-14H,15H2,1-3H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 43020525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).