(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

C13H17FN2O3 — CID 131685200

IUPAC(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C13H17FN2O3/c1-18-8-10-9-7-16(6-3-11(9)19-15-10)12(17)13(14)4-2-5-13/h2-8H2,1H3
InChIKeyMNALUBMOTVACBO-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.60
Rot. Bonds3

About (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131685200) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID131685200
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C13H17FN2O3/c1-18-8-10-9-7-16(6-3-11(9)19-15-10)12(17)13(14)4-2-5-13/h2-8H2,1H3
InChIKeyMNALUBMOTVACBO-UHFFFAOYSA-N
XLogP1.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
CID 90655142
2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide
CID 131685124
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131685149
(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 131685191
[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131685192
3-fluoro-1-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131690122
5-Tert-butyl 3-ethyl 4H,5H,6H,7H-[1,2]oxazolo[4,5-C]pyridine-3,5-dicarboxylate
CID 57618620
5-Acetyl-4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine-3-carboxylic acid ethyl ester
CID 57618621
ethyl 5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
CID 57618626
ethane;1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 144955043
ethane;2-methoxy-1-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 144955069
(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol
CID 54847511

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 131685200) is (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is COCc1noc2c1CN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is MNALUBMOTVACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-8-10-9-7-16(6-3-11(9)19-15-10)12(17)13(14)4-2-5-13/h2-8H2,1H3.
What are the key properties of (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 268.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131685200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).