[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate

C13H12ClNO4 — CID 70968191

IUPAC[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate
SMILESCCCc1nc(-c2ccccc2Cl)oc1OC(=O)O
InChIInChI=1S/C13H12ClNO4/c1-2-5-10-12(19-13(16)17)18-11(15-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H,16,17)
InChIKeyOHMQAVQTINDZBL-UHFFFAOYSA-N
MW281.69 g/mol
LogP4.00
Rot. Bonds4

About [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate

[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate (PubChem CID 70968191) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate
PubChem CID70968191
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate
SMILESCCCc1nc(-c2ccccc2Cl)oc1OC(=O)O
InChIInChI=1S/C13H12ClNO4/c1-2-5-10-12(19-13(16)17)18-11(15-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H,16,17)
InChIKeyOHMQAVQTINDZBL-UHFFFAOYSA-N
XLogP4.00
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(2-methylphenyl)-1,3-oxazol-5-yl] hydrogen carbonate
CID 70968115
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13105454
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373683
2-(2-chloro-6-nitrophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373252
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 110614026
ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
CID 56749713

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate?
The IUPAC name of [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate (CID 70968191) is [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate?
The canonical SMILES for [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate is CCCc1nc(-c2ccccc2Cl)oc1OC(=O)O.
What is the InChIKey of [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate?
The InChIKey is OHMQAVQTINDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-2-5-10-12(19-13(16)17)18-11(15-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H,16,17).
What are the key properties of [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate?
[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate has a molecular weight of 281.69 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 70968191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).