1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C14H14N4O2 — CID 62133800

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2nnc(-c3ccccc3)o2)on1
InChIInChI=1S/C14H14N4O2/c1-10-7-12(20-18-10)8-15-9-13-16-17-14(19-13)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyCLJKKKODYZSNJM-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 62133800) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID62133800
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2nnc(-c3ccccc3)o2)on1
InChIInChI=1S/C14H14N4O2/c1-10-7-12(20-18-10)8-15-9-13-16-17-14(19-13)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyCLJKKKODYZSNJM-UHFFFAOYSA-N
XLogP2.32
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 71993088
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
1-(6-methyl-3-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62995674
1-(1,2-oxazol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 81177965
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 62340525
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
CID 113485458

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 62133800) is 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1cc(CNCc2nnc(-c3ccccc3)o2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is CLJKKKODYZSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-7-12(20-18-10)8-15-9-13-16-17-14(19-13)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 270.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 62133800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).