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

C18H17N3O4S — CID 2745903

IUPACN-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-c3c(C)noc3N(C(C)=O)C(C)=O)n2)cc1
InChIInChI=1S/C18H17N3O4S/c1-10-16(18(25-20-10)21(11(2)22)12(3)23)17-19-15(9-26-17)13-5-7-14(24-4)8-6-13/h5-9H,1-4H3
InChIKeyQGBMRFAMRXQDKU-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.68
Rot. Bonds4

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

N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 2745903) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID2745903
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-c3c(C)noc3N(C(C)=O)C(C)=O)n2)cc1
InChIInChI=1S/C18H17N3O4S/c1-10-16(18(25-20-10)21(11(2)22)12(3)23)17-19-15(9-26-17)13-5-7-14(24-4)8-6-13/h5-9H,1-4H3
InChIKeyQGBMRFAMRXQDKU-UHFFFAOYSA-N
XLogP3.68
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 2745903) is N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2csc(-c3c(C)noc3N(C(C)=O)C(C)=O)n2)cc1.
What is the InChIKey of N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is QGBMRFAMRXQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10-16(18(25-20-10)21(11(2)22)12(3)23)17-19-15(9-26-17)13-5-7-14(24-4)8-6-13/h5-9H,1-4H3.
What are the key properties of N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 2745903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).