benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C16H21NO4 — CID 72970328

IUPACbenzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(C2(O)CC2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c1-15(2)17(13(11-21-15)16(19)8-9-16)14(18)20-10-12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3
InChIKeyIGKXQHGCJHWBIO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.29
Rot. Bonds3

About benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 72970328) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID72970328
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namebenzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OCC(C2(O)CC2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c1-15(2)17(13(11-21-15)16(19)8-9-16)14(18)20-10-12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3
InChIKeyIGKXQHGCJHWBIO-UHFFFAOYSA-N
XLogP2.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 72970328) is benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OCC(C2(O)CC2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IGKXQHGCJHWBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-15(2)17(13(11-21-15)16(19)8-9-16)14(18)20-10-12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3.
What are the key properties of benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1-hydroxycyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 72970328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).