3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide

C18H20N4O3S — CID 97446424

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NCCN4CCOCC4)cc23)cs1
InChIInChI=1S/C18H20N4O3S/c1-12-20-15(11-26-12)17-14-10-13(2-3-16(14)25-21-17)18(23)19-4-5-22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyAUJXXADTOUHBJW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446424) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446424
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)NCCN4CCOCC4)cc23)cs1
InChIInChI=1S/C18H20N4O3S/c1-12-20-15(11-26-12)17-14-10-13(2-3-16(14)25-21-17)18(23)19-4-5-22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,19,23)
InChIKeyAUJXXADTOUHBJW-UHFFFAOYSA-N
XLogP2.32
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (CID 97446424) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)NCCN4CCOCC4)cc23)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is AUJXXADTOUHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-20-15(11-26-12)17-14-10-13(2-3-16(14)25-21-17)18(23)19-4-5-22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,19,23).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).