propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate

C15H18N2O3 — CID 23397364

IUPACpropan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C15H18N2O3/c1-10(2)19-14(18)12-7-5-9-17(12)15-16-11-6-3-4-8-13(11)20-15/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeyQTHGBZYWMQOLJL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds3

About propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate

propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate (PubChem CID 23397364) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate
PubChem CID23397364
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namepropan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C15H18N2O3/c1-10(2)19-14(18)12-7-5-9-17(12)15-16-11-6-3-4-8-13(11)20-15/h3-4,6,8,10,12H,5,7,9H2,1-2H3
InChIKeyQTHGBZYWMQOLJL-UHFFFAOYSA-N
XLogP2.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97427936
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
(2S)-1-(1,3-benzoxazol-2-yl)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 99903587
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
1-(1,3-benzoxazol-2-yl)-N-(2-bromophenyl)pyrrolidine-2-carboxamide
CID 71809846
(2S)-1-(1,3-benzoxazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124759150
[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 35738120
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
tert-butyl N-[3-[[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propyl]carbamate
CID 126850572

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate (CID 23397364) is propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate is CC(C)OC(=O)C1CCCN1c1nc2ccccc2o1.
What is the InChIKey of propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is QTHGBZYWMQOLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)19-14(18)12-7-5-9-17(12)15-16-11-6-3-4-8-13(11)20-15/h3-4,6,8,10,12H,5,7,9H2,1-2H3.
What are the key properties of propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate?
propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 23397364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).