(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate

C22H17NO3 — CID 16588864

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H17NO3/c1-15-20(23-21(26-15)17-9-3-2-4-10-17)14-25-22(24)19-13-7-11-16-8-5-6-12-18(16)19/h2-13H,14H2,1H3
InChIKeyNZRCJTDYXKZATE-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.16
Rot. Bonds4

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate (PubChem CID 16588864) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
PubChem CID16588864
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H17NO3/c1-15-20(23-21(26-15)17-9-3-2-4-10-17)14-25-22(24)19-13-7-11-16-8-5-6-12-18(16)19/h2-13H,14H2,1H3
InChIKeyNZRCJTDYXKZATE-UHFFFAOYSA-N
XLogP5.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 16797367
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 16588831
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16588390
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate (CID 16588864) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate is Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc2ccccc12.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate?
The InChIKey is NZRCJTDYXKZATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-15-20(23-21(26-15)17-9-3-2-4-10-17)14-25-22(24)19-13-7-11-16-8-5-6-12-18(16)19/h2-13H,14H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 16588864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).