N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine

C16H20N2O3 — CID 146145142

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine
SMILESCc1ocnc1CNCc1ccc2c(c1)OCCCCO2
InChIInChI=1S/C16H20N2O3/c1-12-14(18-11-21-12)10-17-9-13-4-5-15-16(8-13)20-7-3-2-6-19-15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyFAMLXHADJHJANE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.82
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine (PubChem CID 146145142) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine
PubChem CID146145142
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine
SMILESCc1ocnc1CNCc1ccc2c(c1)OCCCCO2
InChIInChI=1S/C16H20N2O3/c1-12-14(18-11-21-12)10-17-9-13-4-5-15-16(8-13)20-7-3-2-6-19-15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyFAMLXHADJHJANE-UHFFFAOYSA-N
XLogP2.82
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305688
1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870879
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanediamine
CID 115225690
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(methoxymethyl)methanamine
CID 115258498
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpropan-1-amine
CID 58080614
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54896960
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)acetaldehyde
CID 115222892
1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 60658379

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine (CID 146145142) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine is Cc1ocnc1CNCc1ccc2c(c1)OCCCCO2.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine?
The InChIKey is FAMLXHADJHJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-14(18-11-21-12)10-17-9-13-4-5-15-16(8-13)20-7-3-2-6-19-15/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanamine is sourced from PubChem (CID 146145142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).