N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C19H17ClN2O3 — CID 108742310

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NC3CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C19H17ClN2O3/c1-11-2-4-18-13(8-11)16(22-25-18)10-19(23)21-15-6-7-24-17-5-3-12(20)9-14(15)17/h2-5,8-9,15H,6-7,10H2,1H3,(H,21,23)
InChIKeyAPKLUPDILZYCGL-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.97
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108742310) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108742310
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NC3CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C19H17ClN2O3/c1-11-2-4-18-13(8-11)16(22-25-18)10-19(23)21-15-6-7-24-17-5-3-12(20)9-14(15)17/h2-5,8-9,15H,6-7,10H2,1H3,(H,21,23)
InChIKeyAPKLUPDILZYCGL-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
CID 68795382
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108742310) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)NC3CCOc4ccc(Cl)cc43)c2c1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is APKLUPDILZYCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-2-4-18-13(8-11)16(22-25-18)10-19(23)21-15-6-7-24-17-5-3-12(20)9-14(15)17/h2-5,8-9,15H,6-7,10H2,1H3,(H,21,23).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108742310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).