N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine

C18H27N5O — CID 137343779

IUPACN-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nnc([C@H](N)c2ccccc2)o1)C1CCCC1
InChIInChI=1S/C18H27N5O/c1-23(15-10-5-6-11-15)13-7-12-20-18-22-21-17(24-18)16(19)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13,19H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyREBGQGQCATWZST-MRXNPFEDSA-N
MW329.45 g/mol
LogP2.79
Rot. Bonds8

About N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine

N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine (PubChem CID 137343779) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine
PubChem CID137343779
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nnc([C@H](N)c2ccccc2)o1)C1CCCC1
InChIInChI=1S/C18H27N5O/c1-23(15-10-5-6-11-15)13-7-12-20-18-22-21-17(24-18)16(19)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13,19H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyREBGQGQCATWZST-MRXNPFEDSA-N
XLogP2.79
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine (CID 137343779) is N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine is CN(CCCNc1nnc([C@H](N)c2ccccc2)o1)C1CCCC1.
What is the InChIKey of N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine?
The InChIKey is REBGQGQCATWZST-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O/c1-23(15-10-5-6-11-15)13-7-12-20-18-22-21-17(24-18)16(19)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13,19H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine?
N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine has a molecular weight of 329.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N'-cyclopentyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 137343779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).