(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C17H19NO3 — CID 55392584

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H19NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h7-9H,3-6,10H2,1-2H3
InChIKeyLTEYVEBOZGJFBX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.53
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 55392584) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID55392584
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H19NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h7-9H,3-6,10H2,1-2H3
InChIKeyLTEYVEBOZGJFBX-UHFFFAOYSA-N
XLogP3.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192237
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 18202987
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 7276513
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3955976
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2122325
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31752041
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
CID 18122654
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate
CID 18171548

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 55392584) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is Cc1noc(C)c1COC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is LTEYVEBOZGJFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 55392584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).