6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole

C15H19ClN2O — CID 58720317

IUPAC6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole
SMILESCC(C)N1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN2O/c1-10(2)18-7-5-11(6-8-18)15-13-4-3-12(16)9-14(13)19-17-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDWRSFMMMHYRXCR-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.07
Rot. Bonds2

About 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole

6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole (PubChem CID 58720317) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole
PubChem CID58720317
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole
SMILESCC(C)N1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H19ClN2O/c1-10(2)18-7-5-11(6-8-18)15-13-4-3-12(16)9-14(13)19-17-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDWRSFMMMHYRXCR-UHFFFAOYSA-N
XLogP4.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole?
The IUPAC name of 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole (CID 58720317) is 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole.
What is the SMILES notation for 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole?
The canonical SMILES for 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole is CC(C)N1CCC(c2noc3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole?
The InChIKey is DWRSFMMMHYRXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(2)18-7-5-11(6-8-18)15-13-4-3-12(16)9-14(13)19-17-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole?
6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole has a molecular weight of 278.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-propan-2-ylpiperidin-4-yl)-1,2-benzoxazole is sourced from PubChem (CID 58720317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).