N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

C18H21N3O3S — CID 45201019

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NC(C)c3nc(C)sc3C)cc2o1
InChIInChI=1S/C18H21N3O3S/c1-10(17-11(2)25-12(3)20-17)19-18(22)13-5-6-14-15(9-13)24-16(21-14)7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)
InChIKeyAWZLEWULEIJMBT-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.58
Rot. Bonds6

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 45201019) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID45201019
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NC(C)c3nc(C)sc3C)cc2o1
InChIInChI=1S/C18H21N3O3S/c1-10(17-11(2)25-12(3)20-17)19-18(22)13-5-6-14-15(9-13)24-16(21-14)7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)
InChIKeyAWZLEWULEIJMBT-UHFFFAOYSA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (CID 45201019) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)NC(C)c3nc(C)sc3C)cc2o1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is AWZLEWULEIJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-10(17-11(2)25-12(3)20-17)19-18(22)13-5-6-14-15(9-13)24-16(21-14)7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 45201019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).