2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide

C17H23ClN2O3 — CID 69033756

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2O3/c1-11(2)8-19(9-12(3)4)16(21)10-20-14-6-5-13(18)7-15(14)23-17(20)22/h5-7,11-12H,8-10H2,1-4H3
InChIKeySDILIKNSTFMOGI-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.39
Rot. Bonds6

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 69033756) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID69033756
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2O3/c1-11(2)8-19(9-12(3)4)16(21)10-20-14-6-5-13(18)7-15(14)23-17(20)22/h5-7,11-12H,8-10H2,1-4H3
InChIKeySDILIKNSTFMOGI-UHFFFAOYSA-N
XLogP3.39
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)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

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 8986652
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8986745
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 4199634
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 4199629
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
N-[(2R)-butan-2-yl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8986471
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8986491

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide (CID 69033756) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is SDILIKNSTFMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(2)8-19(9-12(3)4)16(21)10-20-14-6-5-13(18)7-15(14)23-17(20)22/h5-7,11-12H,8-10H2,1-4H3.
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 69033756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).