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

C14H19ClN4O2 — CID 106969893

IUPACN-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C14H19ClN4O2/c1-9(2)7-16-8-13-18-19-14(21-13)17-12-6-10(20-3)4-5-11(12)15/h4-6,9,16H,7-8H2,1-3H3,(H,17,19)
InChIKeyCWHORRKCPIWSRW-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.22
Rot. Bonds7

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

N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969893) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969893
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nnc(CNCC(C)C)o2)c1
InChIInChI=1S/C14H19ClN4O2/c1-9(2)7-16-8-13-18-19-14(21-13)17-12-6-10(20-3)4-5-11(12)15/h4-6,9,16H,7-8H2,1-3H3,(H,17,19)
InChIKeyCWHORRKCPIWSRW-UHFFFAOYSA-N
XLogP3.22
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954
N-(3-chloro-4-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966235
N-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966664
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-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
N-(4-bromo-3-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966586
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
N-[(3-methylphenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969544
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106969893) is N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is COc1ccc(Cl)c(Nc2nnc(CNCC(C)C)o2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CWHORRKCPIWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9(2)7-16-8-13-18-19-14(21-13)17-12-6-10(20-3)4-5-11(12)15/h4-6,9,16H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 310.79 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).