N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide

C19H18N2O3S — CID 647248

IUPACN-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2O3S/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15H,4,8,10,12H2
InChIKeyIBJVKMZDEZDAGM-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.23
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide

N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 647248) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID647248
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2O3S/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15H,4,8,10,12H2
InChIKeyIBJVKMZDEZDAGM-UHFFFAOYSA-N
XLogP4.23
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 647248) is N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(c1ccco1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is IBJVKMZDEZDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15H,4,8,10,12H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide?
N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 647248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).