methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate

C18H22N2O4 — CID 25296398

IUPACmethyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C18H22N2O4/c1-11(2)16-19-13-10-12(7-8-15(13)24-16)17(21)20-9-5-4-6-14(20)18(22)23-3/h7-8,10-11,14H,4-6,9H2,1-3H3/t14-/m1/s1
InChIKeyYDMCMKMCQDOCQM-CQSZACIVSA-N
MW330.38 g/mol
LogP3.12
Rot. Bonds3

About methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 25296398) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID25296398
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C18H22N2O4/c1-11(2)16-19-13-10-12(7-8-15(13)24-16)17(21)20-9-5-4-6-14(20)18(22)23-3/h7-8,10-11,14H,4-6,9H2,1-3H3/t14-/m1/s1
InChIKeyYDMCMKMCQDOCQM-CQSZACIVSA-N
XLogP3.12
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 24816683
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate (CID 25296398) is methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is YDMCMKMCQDOCQM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(2)16-19-13-10-12(7-8-15(13)24-16)17(21)20-9-5-4-6-14(20)18(22)23-3/h7-8,10-11,14H,4-6,9H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 25296398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).