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

C17H24N4O3S — CID 170511587

IUPAC[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1nc2c(o1)CCN(C(=O)c1csc([C@@H](N)CC(C)C)n1)C2
InChIInChI=1S/C17H24N4O3S/c1-10(2)6-11(18)16-20-13(9-25-16)17(22)21-5-4-14-12(7-21)19-15(24-14)8-23-3/h9-11H,4-8,18H2,1-3H3/t11-/m0/s1
InChIKeyXFZGBVDNSCPESG-NSHDSACASA-N
MW364.47 g/mol
LogP2.52
Rot. Bonds6

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

[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170511587) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170511587
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1nc2c(o1)CCN(C(=O)c1csc([C@@H](N)CC(C)C)n1)C2
InChIInChI=1S/C17H24N4O3S/c1-10(2)6-11(18)16-20-13(9-25-16)17(22)21-5-4-14-12(7-21)19-15(24-14)8-23-3/h9-11H,4-8,18H2,1-3H3/t11-/m0/s1
InChIKeyXFZGBVDNSCPESG-NSHDSACASA-N
XLogP2.52
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 169415750
2-(3-chlorophenoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169413425
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
(4-hydroxy-3,5-dimethoxyphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507395
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
CID 170505270
2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
(E)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
CID 169413703
3-methoxy-1-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169419723
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one
CID 172662628
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169414516
3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 170503868

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170511587) is [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is COCc1nc2c(o1)CCN(C(=O)c1csc([C@@H](N)CC(C)C)n1)C2.
What is the InChIKey of [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is XFZGBVDNSCPESG-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-10(2)6-11(18)16-20-13(9-25-16)17(22)21-5-4-14-12(7-21)19-15(24-14)8-23-3/h9-11H,4-8,18H2,1-3H3/t11-/m0/s1.
What are the key properties of [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 364.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170511587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).