3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C14H15N3O3S — CID 97031258

IUPAC3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCO[C@@H](C)c1nc(Cn2c(=O)oc3cccnc32)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-19-9(2)13-16-10(8-21-13)7-17-12-11(20-14(17)18)5-4-6-15-12/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyMMUHMLJCRSIPJA-VIFPVBQESA-N
MW305.36 g/mol
LogP2.59
Rot. Bonds5

About 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 97031258) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID97031258
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCO[C@@H](C)c1nc(Cn2c(=O)oc3cccnc32)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-19-9(2)13-16-10(8-21-13)7-17-12-11(20-14(17)18)5-4-6-15-12/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1
InChIKeyMMUHMLJCRSIPJA-VIFPVBQESA-N
XLogP2.59
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 97031258) is 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CCO[C@@H](C)c1nc(Cn2c(=O)oc3cccnc32)cs1.
What is the InChIKey of 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is MMUHMLJCRSIPJA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-19-9(2)13-16-10(8-21-13)7-17-12-11(20-14(17)18)5-4-6-15-12/h4-6,8-9H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 305.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 97031258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).