(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one

C16H21N3O4 — CID 163886036

IUPAC(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one
SMILESCOCc1c(C(=O)C23C[C@H]4CN(C)C(=O)C[C@@H](C2)N43)noc1C
InChIInChI=1S/C16H21N3O4/c1-9-12(8-22-3)14(17-23-9)15(21)16-5-10-4-13(20)18(2)7-11(6-16)19(10)16/h10-11H,4-8H2,1-3H3/t10-,11-,16?/m0/s1
InChIKeyPXJMBEPJCOEYJH-LFVMAQABSA-N
MW319.36 g/mol
LogP0.76
Rot. Bonds4

About (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one

(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one (PubChem CID 163886036) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one.

Molecular Properties

Compound Name(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one
PubChem CID163886036
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one
SMILESCOCc1c(C(=O)C23C[C@H]4CN(C)C(=O)C[C@@H](C2)N43)noc1C
InChIInChI=1S/C16H21N3O4/c1-9-12(8-22-3)14(17-23-9)15(21)16-5-10-4-13(20)18(2)7-11(6-16)19(10)16/h10-11H,4-8H2,1-3H3/t10-,11-,16?/m0/s1
InChIKeyPXJMBEPJCOEYJH-LFVMAQABSA-N
XLogP0.76
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one with MolForge

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Related Compounds

[(1R,9S)-4-ethyl-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-dien-12-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 163336748
2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70752399
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 95707736
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
4-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrolidin-2-one
CID 136533794
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70726176
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 110119170
2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145708
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 94800294
4-(methoxymethyl)-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118781171

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one?
The IUPAC name of (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one (CID 163886036) is (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one.
What is the SMILES notation for (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one?
The canonical SMILES for (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one is COCc1c(C(=O)C23C[C@H]4CN(C)C(=O)C[C@@H](C2)N43)noc1C.
What is the InChIKey of (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one?
The InChIKey is PXJMBEPJCOEYJH-LFVMAQABSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-9-12(8-22-3)14(17-23-9)15(21)16-5-10-4-13(20)18(2)7-11(6-16)19(10)16/h10-11H,4-8H2,1-3H3/t10-,11-,16?/m0/s1.
What are the key properties of (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one?
(1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one has a molecular weight of 319.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-methyl-3,10-diazatricyclo[4.3.1.08,10]decan-4-one is sourced from PubChem (CID 163886036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).