methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C18H17N3O4S — CID 2809561

IUPACmethyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C
InChIInChI=1S/C18H17N3O4S/c1-10-15(20-17(25-10)12-7-5-4-6-8-12)16(23)21-18-19-13(11(2)26-18)9-14(22)24-3/h4-8H,9H2,1-3H3,(H,19,21,23)
InChIKeyMTCHJQINDLVSDK-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.38
Rot. Bonds5

About methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2809561) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2809561
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C
InChIInChI=1S/C18H17N3O4S/c1-10-15(20-17(25-10)12-7-5-4-6-8-12)16(23)21-18-19-13(11(2)26-18)9-14(22)24-3/h4-8H,9H2,1-3H3,(H,19,21,23)
InChIKeyMTCHJQINDLVSDK-UHFFFAOYSA-N
XLogP3.38
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 2809561) is methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C.
What is the InChIKey of methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MTCHJQINDLVSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10-15(20-17(25-10)12-7-5-4-6-8-12)16(23)21-18-19-13(11(2)26-18)9-14(22)24-3/h4-8H,9H2,1-3H3,(H,19,21,23).
What are the key properties of methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 371.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2809561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).