(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate

C19H18N2O4 — CID 71859633

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
SMILESCC(C)Oc1cccnc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O4/c1-13(2)25-16-9-6-10-20-17(16)19(22)24-12-15-11-23-18(21-15)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyAQERRDITOMSTQB-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.88
Rot. Bonds6

About (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate (PubChem CID 71859633) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
PubChem CID71859633
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
SMILESCC(C)Oc1cccnc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O4/c1-13(2)25-16-9-6-10-20-17(16)19(22)24-12-15-11-23-18(21-15)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyAQERRDITOMSTQB-UHFFFAOYSA-N
XLogP3.88
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
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CID 16605256
(2-phenyl-1,3-oxazol-4-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16602374
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564892
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
CID 122387469
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate (CID 71859633) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate is CC(C)Oc1cccnc1C(=O)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate?
The InChIKey is AQERRDITOMSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(2)25-16-9-6-10-20-17(16)19(22)24-12-15-11-23-18(21-15)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate is sourced from PubChem (CID 71859633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).