benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate

C14H15NO3 — CID 170414122

IUPACbenzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCC(C)c1ocnc1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-10(2)13-12(15-9-18-13)14(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyUBIUMHIDUVJBPL-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.15
Rot. Bonds4

About benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate

benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 170414122) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
PubChem CID170414122
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namebenzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCC(C)c1ocnc1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO3/c1-10(2)13-12(15-9-18-13)14(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyUBIUMHIDUVJBPL-UHFFFAOYSA-N
XLogP3.15
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-nitrophenyl)ethyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 71848845
ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
CID 55037618
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
benzyl acetate
CID 8785
N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75381879
[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 97215614
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate
CID 2345
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658
benzyl 3-phenylquinoxaline-2-carboxylate
CID 132508697
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484

Frequently Asked Questions

What is the IUPAC name of benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate (CID 170414122) is benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate is CC(C)c1ocnc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is UBIUMHIDUVJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(2)13-12(15-9-18-13)14(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate?
benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170414122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).