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

C15H21N3O2 — CID 62919697

IUPACN-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCCCOc1cccc(-c2nnc(CNC(C)C)o2)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-19-13-7-5-6-12(9-13)15-18-17-14(20-15)10-16-11(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyHSSOGRLQUUSTBK-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds7

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

N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62919697) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62919697
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCCCOc1cccc(-c2nnc(CNC(C)C)o2)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-19-13-7-5-6-12(9-13)15-18-17-14(20-15)10-16-11(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyHSSOGRLQUUSTBK-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136857
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
N-[[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 79205528
N-[[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138872
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62919697) is N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CCCOc1cccc(-c2nnc(CNC(C)C)o2)c1.
What is the InChIKey of N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is HSSOGRLQUUSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-19-13-7-5-6-12(9-13)15-18-17-14(20-15)10-16-11(2)3/h5-7,9,11,16H,4,8,10H2,1-3H3.
What are the key properties of N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).