N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H14Cl2N4O — CID 106967190

IUPACN-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H14Cl2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyWNQDADAFPNPURO-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.62
Rot. Bonds5

About N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967190) has the molecular formula C12H14Cl2N4O and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967190
Molecular FormulaC12H14Cl2N4O
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H14Cl2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyWNQDADAFPNPURO-UHFFFAOYSA-N
XLogP3.62
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724
N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106959162
N-(2-chloro-5-fluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 107532091
N-(5-bromo-2-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960704
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966366
3-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966827
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
N-(3-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968508
5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959334
N-[[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 55083744
N-(4-bromo-2,6-dimethylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966047

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106967190) is N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(Nc2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WNQDADAFPNPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O/c1-7(2)15-6-10-17-18-12(19-10)16-9-5-3-4-8(13)11(9)14/h3-5,7,15H,6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 301.18 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).