5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine

C18H18N4O2 — CID 135094889

IUPAC5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(N[C@H]3COC[C@H]3Cc3ccncc3)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-4-14(5-3-1)17-21-18(22-24-17)20-16-12-23-11-15(16)10-13-6-8-19-9-7-13/h1-9,15-16H,10-12H2,(H,20,22)/t15-,16+/m1/s1
InChIKeyRGIZLMYXJYLJKG-CVEARBPZSA-N
MW322.37 g/mol
LogP2.80
Rot. Bonds5

About 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine

5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 135094889) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID135094889
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(N[C@H]3COC[C@H]3Cc3ccncc3)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-4-14(5-3-1)17-21-18(22-24-17)20-16-12-23-11-15(16)10-13-6-8-19-9-7-13/h1-9,15-16H,10-12H2,(H,20,22)/t15-,16+/m1/s1
InChIKeyRGIZLMYXJYLJKG-CVEARBPZSA-N
XLogP2.80
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135105880
4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 135101105
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
CID 135097042
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135097590
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine (CID 135094889) is 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(N[C@H]3COC[C@H]3Cc3ccncc3)no2)cc1.
What is the InChIKey of 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is RGIZLMYXJYLJKG-CVEARBPZSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-4-14(5-3-1)17-21-18(22-24-17)20-16-12-23-11-15(16)10-13-6-8-19-9-7-13/h1-9,15-16H,10-12H2,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine?
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 322.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 135094889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).