3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide

C22H20N2O3S — CID 30662522

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccs1
InChIInChI=1S/C22H20N2O3S/c1-14-20(15(2)27-24-14)13-26-21-11-17-7-4-3-6-16(17)10-19(21)22(25)23-12-18-8-5-9-28-18/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyBTUJXAKQITWUJU-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.02
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 30662522) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
PubChem CID30662522
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccs1
InChIInChI=1S/C22H20N2O3S/c1-14-20(15(2)27-24-14)13-26-21-11-17-7-4-3-6-16(17)10-19(21)22(25)23-12-18-8-5-9-28-18/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyBTUJXAKQITWUJU-UHFFFAOYSA-N
XLogP5.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 38285185
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 43020525
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 9097764
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide
CID 40984777
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide
CID 55814292
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide
CID 55532647
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]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]naphthalene-2-carboxamide
CID 86903174
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-1,3-benzoxazol-5-yl)naphthalene-2-carboxamide
CID 30663353
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 55973311

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide (CID 30662522) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccs1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is BTUJXAKQITWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-14-20(15(2)27-24-14)13-26-21-11-17-7-4-3-6-16(17)10-19(21)22(25)23-12-18-8-5-9-28-18/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 30662522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).