10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C16H19N3O3 — CID 128701574

IUPAC10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOCc1cc(CN2CCN3CCOc4cccc2c43)no1
InChIInChI=1S/C16H19N3O3/c1-20-11-13-9-12(17-22-13)10-19-6-5-18-7-8-21-15-4-2-3-14(19)16(15)18/h2-4,9H,5-8,10-11H2,1H3
InChIKeyKCGLSSAHUZSLTP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.04
Rot. Bonds4

About 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 128701574) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID128701574
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOCc1cc(CN2CCN3CCOc4cccc2c43)no1
InChIInChI=1S/C16H19N3O3/c1-20-11-13-9-12(17-22-13)10-19-6-5-18-7-8-21-15-4-2-3-14(19)16(15)18/h2-4,9H,5-8,10-11H2,1H3
InChIKeyKCGLSSAHUZSLTP-UHFFFAOYSA-N
XLogP2.04
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene with MolForge

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Related Compounds

2-methoxy-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 75440676
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 75511652
10-[(3-bromo-5-nitrophenyl)methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 166335427
3-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1,2-oxazol-5-amine
CID 117215596
10-[(3-methylpyrrolidin-3-yl)methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
CID 120905032
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-7-methyl-1,3-benzothiazol-2-one
CID 146144048
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-3-yl]methanamine
CID 66410340
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-7-yl]-N-methylmethanamine
CID 102914020
N-tert-butyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 110670838
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575

Frequently Asked Questions

What is the IUPAC name of 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 128701574) is 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COCc1cc(CN2CCN3CCOc4cccc2c43)no1.
What is the InChIKey of 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is KCGLSSAHUZSLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-20-11-13-9-12(17-22-13)10-19-6-5-18-7-8-21-15-4-2-3-14(19)16(15)18/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 301.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 128701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).