N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine

C14H18ClN3O3 — CID 60879114

IUPACN-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)c(OCc2ncon2)c(OC)c1
InChIInChI=1S/C14H18ClN3O3/c1-3-4-16-7-10-5-11(15)14(12(6-10)19-2)20-8-13-17-9-21-18-13/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyWMVNTVPLTYEKLH-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.81
Rot. Bonds8

About N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 60879114) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID60879114
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)c(OCc2ncon2)c(OC)c1
InChIInChI=1S/C14H18ClN3O3/c1-3-4-16-7-10-5-11(15)14(12(6-10)19-2)20-8-13-17-9-21-18-13/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyWMVNTVPLTYEKLH-UHFFFAOYSA-N
XLogP2.81
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17055581
N-[(3-chloro-4-hexoxy-5-methoxyphenyl)methyl]propan-1-amine
CID 43276563
N-[[3-chloro-4-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 81106399
N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664701
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17292224
N-[[5-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877966
2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 63057307
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine
CID 4716931
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
N-[[3-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390668
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 60879114) is N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)c(OCc2ncon2)c(OC)c1.
What is the InChIKey of N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is WMVNTVPLTYEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-3-4-16-7-10-5-11(15)14(12(6-10)19-2)20-8-13-17-9-21-18-13/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 311.77 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60879114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).