N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine

C15H14N4O — CID 62162503

IUPACN-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNC(c1ccccc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H14N4O/c1-16-13(11-5-3-2-4-6-11)15-19-18-14(20-15)12-7-9-17-10-8-12/h2-10,13,16H,1H3
InChIKeyCATRJCUGAOGKPN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.44
Rot. Bonds4

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

N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 62162503) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID62162503
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNC(c1ccccc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H14N4O/c1-16-13(11-5-3-2-4-6-11)15-19-18-14(20-15)12-7-9-17-10-8-12/h2-10,13,16H,1H3
InChIKeyCATRJCUGAOGKPN-UHFFFAOYSA-N
XLogP2.44
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62162679
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 65215921
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944
1-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 79085075
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
CID 62164427
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710987
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine (CID 62162503) is N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine is CNC(c1ccccc1)c1nnc(-c2ccncc2)o1.
What is the InChIKey of N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is CATRJCUGAOGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-13(11-5-3-2-4-6-11)15-19-18-14(20-15)12-7-9-17-10-8-12/h2-10,13,16H,1H3.
What are the key properties of N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine?
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 266.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 62162503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).