2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine

C17H17N3O — CID 79959744

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CN3CCCc4ccccc43)nc2c1
InChIInChI=1S/C17H17N3O/c18-13-7-8-16-14(10-13)19-17(21-16)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2
InChIKeyOAEAJQWCHTUUGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 79959744) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID79959744
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(CN3CCCc4ccccc43)nc2c1
InChIInChI=1S/C17H17N3O/c18-13-7-8-16-14(10-13)19-17(21-16)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2
InChIKeyOAEAJQWCHTUUGI-UHFFFAOYSA-N
XLogP3.36
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 114462412
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79964992
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959759
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977
2-[(2-methylindol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79960161
1-[1-(1,3-benzoxazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 126766841
1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
CID 63986501
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 78821599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine (CID 79959744) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(CN3CCCc4ccccc43)nc2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is OAEAJQWCHTUUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-13-7-8-16-14(10-13)19-17(21-16)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79959744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).