N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H19ClN4O — CID 106966235

IUPACN-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CNCC(C)C)o2)cc1Cl
InChIInChI=1S/C14H19ClN4O/c1-9(2)7-16-8-13-18-19-14(20-13)17-11-5-4-10(3)12(15)6-11/h4-6,9,16H,7-8H2,1-3H3,(H,17,19)
InChIKeySQLGDLQXJUOKSM-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.52
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966235) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966235
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CNCC(C)C)o2)cc1Cl
InChIInChI=1S/C14H19ClN4O/c1-9(2)7-16-8-13-18-19-14(20-13)17-11-5-4-10(3)12(15)6-11/h4-6,9,16H,7-8H2,1-3H3,(H,17,19)
InChIKeySQLGDLQXJUOKSM-UHFFFAOYSA-N
XLogP3.52
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
N-(4-bromo-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966586
5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
N-(2,6-difluoro-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963687
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954
N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969893
N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966341
N-(3,4-dimethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967269
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
N-(4-fluoro-3-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960566
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106966235) is N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(CNCC(C)C)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SQLGDLQXJUOKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9(2)7-16-8-13-18-19-14(20-13)17-11-5-4-10(3)12(15)6-11/h4-6,9,16H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.79 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).