2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole

C18H26N2O — CID 176809535

IUPAC2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole
SMILESCC[C@H]1C[C@@H](c2nc3cc(C)ccc3o2)CCN1C(C)C
InChIInChI=1S/C18H26N2O/c1-5-15-11-14(8-9-20(15)12(2)3)18-19-16-10-13(4)6-7-17(16)21-18/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyWVPSIPNOVQGXDK-GJZGRUSLSA-N
MW286.42 g/mol
LogP4.50
Rot. Bonds3

About 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole

2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole (PubChem CID 176809535) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole
PubChem CID176809535
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole
SMILESCC[C@H]1C[C@@H](c2nc3cc(C)ccc3o2)CCN1C(C)C
InChIInChI=1S/C18H26N2O/c1-5-15-11-14(8-9-20(15)12(2)3)18-19-16-10-13(4)6-7-17(16)21-18/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyWVPSIPNOVQGXDK-GJZGRUSLSA-N
XLogP4.50
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine
CID 82167787
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167785
3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine
CID 91352161
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole
CID 75131872
5-methyl-2-[(3S)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
CID 51137049
propan-2-yl 4-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
CID 71263395
[3-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 75131646
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
CID 54936947
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole (CID 176809535) is 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole is CC[C@H]1C[C@@H](c2nc3cc(C)ccc3o2)CCN1C(C)C.
What is the InChIKey of 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is WVPSIPNOVQGXDK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-15-11-14(8-9-20(15)12(2)3)18-19-16-10-13(4)6-7-17(16)21-18/h6-7,10,12,14-15H,5,8-9,11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole?
2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 286.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 176809535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).