2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

C18H21ClN4O3 — CID 46970801

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)c1C
InChIInChI=1S/C18H21ClN4O3/c1-11-12(2)21-23(13(11)3)7-6-20-17(24)9-22-15-8-14(19)4-5-16(15)26-10-18(22)25/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,24)
InChIKeyMLRSPGZNRUNWRS-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.00
Rot. Bonds5

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 46970801) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID46970801
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)c1C
InChIInChI=1S/C18H21ClN4O3/c1-11-12(2)21-23(13(11)3)7-6-20-17(24)9-22-15-8-14(19)4-5-16(15)26-10-18(22)25/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,24)
InChIKeyMLRSPGZNRUNWRS-UHFFFAOYSA-N
XLogP2.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30663959
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32607513
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37360924
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (CID 46970801) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is Cc1nn(CCNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)c1C.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is MLRSPGZNRUNWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-11-12(2)21-23(13(11)3)7-6-20-17(24)9-22-15-8-14(19)4-5-16(15)26-10-18(22)25/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 46970801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).