N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide

C14H12N4O3S — CID 71455817

IUPACN-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Oc3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O3S/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(21-11)20-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyRLCMKGIYRDAFFS-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.25
Rot. Bonds4

About N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71455817) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID71455817
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Oc3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O3S/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(21-11)20-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyRLCMKGIYRDAFFS-UHFFFAOYSA-N
XLogP3.25
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 71455817) is N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Oc3cccnc3)o2)s1.
What is the InChIKey of N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RLCMKGIYRDAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-8-12(22-13(17-8)18-9(2)19)11-7-16-14(21-11)20-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 316.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71455817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).