N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

C19H18N4O5S — CID 71788009

IUPACN-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)C1CCCO1
InChIInChI=1S/C19H18N4O5S/c24-17(14-4-2-8-27-14)21-19-20-11-5-6-23(10-16(11)29-19)18(25)12-9-15(28-22-12)13-3-1-7-26-13/h1,3,7,9,14H,2,4-6,8,10H2,(H,20,21,24)
InChIKeyPBYKBXXCGZYZEW-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.71
Rot. Bonds4

About N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 71788009) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
PubChem CID71788009
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)C1CCCO1
InChIInChI=1S/C19H18N4O5S/c24-17(14-4-2-8-27-14)21-19-20-11-5-6-23(10-16(11)29-19)18(25)12-9-15(28-22-12)13-3-1-7-26-13/h1,3,7,9,14H,2,4-6,8,10H2,(H,20,21,24)
InChIKeyPBYKBXXCGZYZEW-UHFFFAOYSA-N
XLogP2.71
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 71788009) is N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)C1CCCO1.
What is the InChIKey of N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The InChIKey is PBYKBXXCGZYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-17(14-4-2-8-27-14)21-19-20-11-5-6-23(10-16(11)29-19)18(25)12-9-15(28-22-12)13-3-1-7-26-13/h1,3,7,9,14H,2,4-6,8,10H2,(H,20,21,24).
What are the key properties of N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 71788009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).