[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone

C18H17ClN4O3 — CID 175179983

IUPAC[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone
SMILESCOC1CN(c2nc3nc(Cl)ccc3o2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H17ClN4O3/c1-25-15-11-22(18-21-16-13(26-18)7-8-14(19)20-16)9-10-23(15)17(24)12-5-3-2-4-6-12/h2-8,15H,9-11H2,1H3
InChIKeyRFDCYKJHPNQDRK-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.81
Rot. Bonds3

About [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone

[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone (PubChem CID 175179983) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone
PubChem CID175179983
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone
SMILESCOC1CN(c2nc3nc(Cl)ccc3o2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H17ClN4O3/c1-25-15-11-22(18-21-16-13(26-18)7-8-14(19)20-16)9-10-23(15)17(24)12-5-3-2-4-6-12/h2-8,15H,9-11H2,1H3
InChIKeyRFDCYKJHPNQDRK-UHFFFAOYSA-N
XLogP2.81
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methylpiperazine-1-carboxylic acid
CID 155192416
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
CID 171778085
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone
CID 155192223
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
CID 118224361
[4-(1-tert-butyltriazol-4-yl)phenyl]-[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192550
(3-methoxymorpholin-4-yl)-phenylmethanone
CID 15379431
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]phenyl]methanone
CID 155192157
1-[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-yn-1-one
CID 155707882
(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
CID 10901016
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[6-[(3-ethyloxetan-3-yl)methoxy]-5-methyl-3-pyridinyl]methanone
CID 155193098
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-[2-(2,2-dimethylpropyl)triazol-4-yl]-3,5-difluorophenyl]methanone
CID 155707962

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone (CID 175179983) is [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone is COC1CN(c2nc3nc(Cl)ccc3o2)CCN1C(=O)c1ccccc1.
What is the InChIKey of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone?
The InChIKey is RFDCYKJHPNQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-25-15-11-22(18-21-16-13(26-18)7-8-14(19)20-16)9-10-23(15)17(24)12-5-3-2-4-6-12/h2-8,15H,9-11H2,1H3.
What are the key properties of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone?
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone has a molecular weight of 372.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 175179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).