N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C14H15N5O — CID 63079825

IUPACN-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H15N5O/c1-2-15-12(10-6-4-3-5-7-10)14-19-18-13(20-14)11-8-9-16-17-11/h3-9,12,15H,2H2,1H3,(H,16,17)
InChIKeyQEGYBOIUVYZJOK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.16
Rot. Bonds5

About N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 63079825) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID63079825
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C14H15N5O/c1-2-15-12(10-6-4-3-5-7-10)14-19-18-13(20-14)11-8-9-16-17-11/h3-9,12,15H,2H2,1H3,(H,16,17)
InChIKeyQEGYBOIUVYZJOK-UHFFFAOYSA-N
XLogP2.16
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
N-[[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 79808204
N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63080882
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
N-benzhydrylethanamine;ethane
CID 142974710
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 107183233
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
N-[[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 63078756
N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 79085075
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 63079825) is N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNC(c1ccccc1)c1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is QEGYBOIUVYZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-15-12(10-6-4-3-5-7-10)14-19-18-13(20-14)11-8-9-16-17-11/h3-9,12,15H,2H2,1H3,(H,16,17).
What are the key properties of N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 269.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 63079825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).