1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid

C16H13NO4 — CID 60682901

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cc(COc2c(C(=O)O)ccc3ccccc23)on1
InChIInChI=1S/C16H13NO4/c1-10-8-12(21-17-10)9-20-15-13-5-3-2-4-11(13)6-7-14(15)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZXCQEITAABTII-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.41
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid

1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 60682901) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
PubChem CID60682901
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cc(COc2c(C(=O)O)ccc3ccccc23)on1
InChIInChI=1S/C16H13NO4/c1-10-8-12(21-17-10)9-20-15-13-5-3-2-4-11(13)6-7-14(15)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZXCQEITAABTII-UHFFFAOYSA-N
XLogP3.41
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanol
CID 78933872
(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368469
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
CID 43415539
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
CID 150380057
1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid (CID 60682901) is 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid is Cc1cc(COc2c(C(=O)O)ccc3ccccc23)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is QZXCQEITAABTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-10-8-12(21-17-10)9-20-15-13-5-3-2-4-11(13)6-7-14(15)16(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 60682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).