N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C16H14ClF2N5O2 — CID 168877171

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCNCc1nnc(-c2cccnc2Nc2ccc(OC(F)(F)Cl)cc2)o1
InChIInChI=1S/C16H14ClF2N5O2/c1-20-9-13-23-24-15(25-13)12-3-2-8-21-14(12)22-10-4-6-11(7-5-10)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyGCUCMXZRIKDBKJ-UHFFFAOYSA-N
MW381.77 g/mol
LogP3.76
Rot. Bonds7

About N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 168877171) has the molecular formula C16H14ClF2N5O2 and a molecular weight of 381.77 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID168877171
Molecular FormulaC16H14ClF2N5O2
Molecular Weight381.77 g/mol
Exact Mass381.08
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCNCc1nnc(-c2cccnc2Nc2ccc(OC(F)(F)Cl)cc2)o1
InChIInChI=1S/C16H14ClF2N5O2/c1-20-9-13-23-24-15(25-13)12-3-2-8-21-14(12)22-10-4-6-11(7-5-10)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyGCUCMXZRIKDBKJ-UHFFFAOYSA-N
XLogP3.76
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 168877171) is N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is CNCc1nnc(-c2cccnc2Nc2ccc(OC(F)(F)Cl)cc2)o1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is GCUCMXZRIKDBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O2/c1-20-9-13-23-24-15(25-13)12-3-2-8-21-14(12)22-10-4-6-11(7-5-10)26-16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 381.77 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 168877171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).