(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone

C19H23FN2O4 — CID 175658167

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCOCCCCOc2ccc(F)cc2C1
InChIInChI=1S/C19H23FN2O4/c1-13-18(14(2)26-21-13)19(23)22-7-10-24-8-3-4-9-25-17-6-5-16(20)11-15(17)12-22/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyOLUWFPRSIZAJEO-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.26
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone (PubChem CID 175658167) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone
PubChem CID175658167
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCOCCCCOc2ccc(F)cc2C1
InChIInChI=1S/C19H23FN2O4/c1-13-18(14(2)26-21-13)19(23)22-7-10-24-8-3-4-9-25-17-6-5-16(20)11-15(17)12-22/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyOLUWFPRSIZAJEO-UHFFFAOYSA-N
XLogP3.26
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)-pyridin-3-ylmethanone
CID 175658334
2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 121215418
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110646737
(2R)-2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 129495142
1,3-benzodioxol-5-yl-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 36869290
9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 133073668
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86264689
N-[(2R)-butan-2-yl]-7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 129349492
(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridin-2-ylphenyl)methanone
CID 71476571
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 134034104
N-[4-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]-N-methylprop-2-enamide
CID 166413474

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone (CID 175658167) is (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone is Cc1noc(C)c1C(=O)N1CCOCCCCOc2ccc(F)cc2C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone?
The InChIKey is OLUWFPRSIZAJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-13-18(14(2)26-21-13)19(23)22-7-10-24-8-3-4-9-25-17-6-5-16(20)11-15(17)12-22/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone has a molecular weight of 362.40 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(14-fluoro-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-10-yl)methanone is sourced from PubChem (CID 175658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).