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

C18H19N5O2 — CID 162634340

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
SMILESCc1noc(-c2ccc(N[C@H]3COC[C@H]3Cc3ccncc3)nc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-21-18(25-23-12)14-2-3-17(20-9-14)22-16-11-24-10-15(16)8-13-4-6-19-7-5-13/h2-7,9,15-16H,8,10-11H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyQLEDGMOFWKSQRP-CVEARBPZSA-N
MW337.38 g/mol
LogP2.50
Rot. Bonds5

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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine (PubChem CID 162634340) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
PubChem CID162634340
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
SMILESCc1noc(-c2ccc(N[C@H]3COC[C@H]3Cc3ccncc3)nc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-21-18(25-23-12)14-2-3-17(20-9-14)22-16-11-24-10-15(16)8-13-4-6-19-7-5-13/h2-7,9,15-16H,8,10-11H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyQLEDGMOFWKSQRP-CVEARBPZSA-N
XLogP2.50
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine (CID 162634340) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine is Cc1noc(-c2ccc(N[C@H]3COC[C@H]3Cc3ccncc3)nc2)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine?
The InChIKey is QLEDGMOFWKSQRP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-21-18(25-23-12)14-2-3-17(20-9-14)22-16-11-24-10-15(16)8-13-4-6-19-7-5-13/h2-7,9,15-16H,8,10-11H2,1H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine is sourced from PubChem (CID 162634340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).