piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone

C18H17N3O2 — CID 134795840

IUPACpiperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)oc2c1)N1CCCCC1
InChIInChI=1S/C18H17N3O2/c22-18(21-9-2-1-3-10-21)13-6-7-15-16(11-13)23-17(20-15)14-5-4-8-19-12-14/h4-8,11-12H,1-3,9-10H2
InChIKeyOOQKZWMMZPHTNK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.52
Rot. Bonds2

About piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone

piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone (PubChem CID 134795840) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
PubChem CID134795840
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Namepiperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)oc2c1)N1CCCCC1
InChIInChI=1S/C18H17N3O2/c22-18(21-9-2-1-3-10-21)13-6-7-15-16(11-13)23-17(20-15)14-5-4-8-19-12-14/h4-8,11-12H,1-3,9-10H2
InChIKeyOOQKZWMMZPHTNK-UHFFFAOYSA-N
XLogP3.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
A 33853
CID 133379
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone
CID 45279979
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]pentanamide
CID 665180

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone (CID 134795840) is piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone is O=C(c1ccc2nc(-c3cccnc3)oc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is OOQKZWMMZPHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(21-9-2-1-3-10-21)13-6-7-15-16(11-13)23-17(20-15)14-5-4-8-19-12-14/h4-8,11-12H,1-3,9-10H2.
What are the key properties of piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 307.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 134795840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).