N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C16H17N3O3S — CID 72940940

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)CN2C(=O)COc3cccnc32)s1
InChIInChI=1S/C16H17N3O3S/c1-11-5-6-12(23-11)8-18(2)14(20)9-19-15(21)10-22-13-4-3-7-17-16(13)19/h3-7H,8-10H2,1-2H3
InChIKeyVHMGQOIWHKQWJY-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 72940940) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID72940940
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)CN2C(=O)COc3cccnc32)s1
InChIInChI=1S/C16H17N3O3S/c1-11-5-6-12(23-11)8-18(2)14(20)9-19-15(21)10-22-13-4-3-7-17-16(13)19/h3-7H,8-10H2,1-2H3
InChIKeyVHMGQOIWHKQWJY-UHFFFAOYSA-N
XLogP1.84
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 72940940) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is Cc1ccc(CN(C)C(=O)CN2C(=O)COc3cccnc32)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is VHMGQOIWHKQWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-5-6-12(23-11)8-18(2)14(20)9-19-15(21)10-22-13-4-3-7-17-16(13)19/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 72940940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).