N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

C19H21N3O4 — CID 4799057

IUPACN-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2ccc(OC(C)C)c(OC)c2)o1
InChIInChI=1S/C19H21N3O4/c1-12(2)25-16-10-9-13(11-17(16)24-4)18-21-22-19(26-18)20-14-7-5-6-8-15(14)23-3/h5-12H,1-4H3,(H,20,22)
InChIKeyLYZPIAINEVCDGT-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.28
Rot. Bonds7

About N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 4799057) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID4799057
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2ccc(OC(C)C)c(OC)c2)o1
InChIInChI=1S/C19H21N3O4/c1-12(2)25-16-10-9-13(11-17(16)24-4)18-21-22-19(26-18)20-14-7-5-6-8-15(14)23-3/h5-12H,1-4H3,(H,20,22)
InChIKeyLYZPIAINEVCDGT-UHFFFAOYSA-N
XLogP4.28
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611400
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
CID 8698901
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline
CID 110653012
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695342

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 4799057) is N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccccc1Nc1nnc(-c2ccc(OC(C)C)c(OC)c2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LYZPIAINEVCDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)25-16-10-9-13(11-17(16)24-4)18-21-22-19(26-18)20-14-7-5-6-8-15(14)23-3/h5-12H,1-4H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 355.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 4799057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).