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

C17H16N2O2 — CID 108774312

IUPACN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nc3ccccc3o1)CCO2
InChIInChI=1S/C17H16N2O2/c1-11-6-7-15-12(10-11)13(8-9-20-15)18-17-19-14-4-2-3-5-16(14)21-17/h2-7,10,13H,8-9H2,1H3,(H,18,19)
InChIKeyWYVRDVNOCFKTBV-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.07
Rot. Bonds2

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

N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 108774312) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
PubChem CID108774312
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nc3ccccc3o1)CCO2
InChIInChI=1S/C17H16N2O2/c1-11-6-7-15-12(10-11)13(8-9-20-15)18-17-19-14-4-2-3-5-16(14)21-17/h2-7,10,13H,8-9H2,1H3,(H,18,19)
InChIKeyWYVRDVNOCFKTBV-UHFFFAOYSA-N
XLogP4.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108774344
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108777132
2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590456
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590433
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108774333
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine
CID 47053661

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine (CID 108774312) is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine is Cc1ccc2c(c1)C(Nc1nc3ccccc3o1)CCO2.
What is the InChIKey of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is WYVRDVNOCFKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-7-15-12(10-11)13(8-9-20-15)18-17-19-14-4-2-3-5-16(14)21-17/h2-7,10,13H,8-9H2,1H3,(H,18,19).
What are the key properties of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine?
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 280.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 108774312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).