(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

C20H19ClN2O3 — CID 46685004

IUPAC(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-15(16)13-25-19(24)14-9-11-23(12-10-14)20-22-17-7-3-4-8-18(17)26-20/h1-8,14H,9-13H2
InChIKeyRHGJTFJMNMSFCQ-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.44
Rot. Bonds4

About (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 46685004) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID46685004
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-15(16)13-25-19(24)14-9-11-23(12-10-14)20-22-17-7-3-4-8-18(17)26-20/h1-8,14H,9-13H2
InChIKeyRHGJTFJMNMSFCQ-UHFFFAOYSA-N
XLogP4.44
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazol-2-ylmethyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16593464
2-methylprop-2-enyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846667
3-methoxypropyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 60562732
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46685006
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846668
(4-phenylmethoxyphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16591321
[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 35738120
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 46685004) is (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is O=C(OCc1ccccc1Cl)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is RHGJTFJMNMSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-15(16)13-25-19(24)14-9-11-23(12-10-14)20-22-17-7-3-4-8-18(17)26-20/h1-8,14H,9-13H2.
What are the key properties of (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 46685004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).