1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine

C14H19N5O — CID 97068058

IUPAC1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
SMILESC/N=C(\NC)NC[C@@H](C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N5O/c1-10(9-17-14(15-2)16-3)13-18-12(19-20-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,17)/t10-/m1/s1
InChIKeyXHDIQVDKEJTDHJ-SNVBAGLBSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds4

About 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine

1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine (PubChem CID 97068058) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
PubChem CID97068058
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
SMILESC/N=C(\NC)NC[C@@H](C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N5O/c1-10(9-17-14(15-2)16-3)13-18-12(19-20-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,17)/t10-/m1/s1
InChIKeyXHDIQVDKEJTDHJ-SNVBAGLBSA-N
XLogP1.63
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine (CID 97068058) is 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine is C/N=C(\NC)NC[C@@H](C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine?
The InChIKey is XHDIQVDKEJTDHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(9-17-14(15-2)16-3)13-18-12(19-20-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,15,16,17)/t10-/m1/s1.
What are the key properties of 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine?
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine has a molecular weight of 273.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine is sourced from PubChem (CID 97068058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).