4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole

C12H12Cl2N2O — CID 94979289

IUPAC4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole
SMILESClc1cc(Cl)c2nc(C3CCNCC3)oc2c1
InChIInChI=1S/C12H12Cl2N2O/c13-8-5-9(14)11-10(6-8)17-12(16-11)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyBVBXMRXMACEELI-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.60
Rot. Bonds1

About 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole

4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole (PubChem CID 94979289) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole
PubChem CID94979289
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole
SMILESClc1cc(Cl)c2nc(C3CCNCC3)oc2c1
InChIInChI=1S/C12H12Cl2N2O/c13-8-5-9(14)11-10(6-8)17-12(16-11)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyBVBXMRXMACEELI-UHFFFAOYSA-N
XLogP3.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
4-chloro-2-cyclobutyl-6-(cyclopropylmethoxy)-1,3-benzoxazole
CID 144608523
4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
CID 82231317
2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
CID 82230679
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
CID 82720359
N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine
CID 84695765
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyridin-2-amine
CID 171660385
7,9-dichloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962762
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119856661
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole (CID 94979289) is 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole is Clc1cc(Cl)c2nc(C3CCNCC3)oc2c1.
What is the InChIKey of 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is BVBXMRXMACEELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-8-5-9(14)11-10(6-8)17-12(16-11)7-1-3-15-4-2-7/h5-7,15H,1-4H2.
What are the key properties of 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole?
4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole has a molecular weight of 271.15 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-piperidin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 94979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).