3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H18N2O2 — CID 106369720

IUPAC3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cnc(CNC2c3ccccc3OCC2C)o1
InChIInChI=1S/C15H18N2O2/c1-10-9-18-13-6-4-3-5-12(13)15(10)17-8-14-16-7-11(2)19-14/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyNARDZYKKDROXJL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106369720) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID106369720
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cnc(CNC2c3ccccc3OCC2C)o1
InChIInChI=1S/C15H18N2O2/c1-10-9-18-13-6-4-3-5-12(13)15(10)17-8-14-16-7-11(2)19-14/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyNARDZYKKDROXJL-UHFFFAOYSA-N
XLogP2.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789866
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524257
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
CID 104524176
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
3-methyl-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 106369720) is 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cnc(CNC2c3ccccc3OCC2C)o1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NARDZYKKDROXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-9-18-13-6-4-3-5-12(13)15(10)17-8-14-16-7-11(2)19-14/h3-7,10,15,17H,8-9H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106369720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).