N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine

C13H17N3O2 — CID 117210053

IUPACN'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
SMILESCOc1cccc(Cc2oncc2NCCN)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-2-3-10(7-11)8-13-12(9-16-18-13)15-6-5-14/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyPEUUNSWEGFTEPF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.64
Rot. Bonds6

About N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine

N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine (PubChem CID 117210053) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
PubChem CID117210053
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
SMILESCOc1cccc(Cc2oncc2NCCN)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-2-3-10(7-11)8-13-12(9-16-18-13)15-6-5-14/h2-4,7,9,15H,5-6,8,14H2,1H3
InChIKeyPEUUNSWEGFTEPF-UHFFFAOYSA-N
XLogP1.64
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093702
1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine (CID 117210053) is N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine is COc1cccc(Cc2oncc2NCCN)c1.
What is the InChIKey of N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine?
The InChIKey is PEUUNSWEGFTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-4-2-3-10(7-11)8-13-12(9-16-18-13)15-6-5-14/h2-4,7,9,15H,5-6,8,14H2,1H3.
What are the key properties of N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine?
N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).