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

C19H19ClN2O2 — CID 108777132

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(NC3CCOc4ccc(Cl)cc43)nc2c1
InChIInChI=1S/C19H19ClN2O2/c1-11(2)12-3-5-18-16(9-12)22-19(24-18)21-15-7-8-23-17-6-4-13(20)10-14(15)17/h3-6,9-11,15H,7-8H2,1-2H3,(H,21,22)
InChIKeyHTOGPMQATZKZBV-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.54
Rot. Bonds3

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

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 108777132) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID108777132
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)c1ccc2oc(NC3CCOc4ccc(Cl)cc43)nc2c1
InChIInChI=1S/C19H19ClN2O2/c1-11(2)12-3-5-18-16(9-12)22-19(24-18)21-15-7-8-23-17-6-4-13(20)10-14(15)17/h3-6,9-11,15H,7-8H2,1-2H3,(H,21,22)
InChIKeyHTOGPMQATZKZBV-UHFFFAOYSA-N
XLogP5.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 83909719
3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
CID 154810801
(R)-N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
CID 155789629
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135760691

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 108777132) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine is CC(C)c1ccc2oc(NC3CCOc4ccc(Cl)cc43)nc2c1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is HTOGPMQATZKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11(2)12-3-5-18-16(9-12)22-19(24-18)21-15-7-8-23-17-6-4-13(20)10-14(15)17/h3-6,9-11,15H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 342.83 g/mol, XLogP of 5.54, 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)-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 108777132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).