N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H19N5O2 — CID 97081589

IUPACN-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ncccn2)no1)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-16(22-12-14-11-15(14)13-5-2-1-3-6-13)7-8-17-23-19(24-26-17)18-20-9-4-10-21-18/h1-6,9-10,14-15H,7-8,11-12H2,(H,22,25)/t14-,15-/m1/s1
InChIKeyDLJMTZKJVMUDAT-HUUCEWRRSA-N
MW349.39 g/mol
LogP2.38
Rot. Bonds7

About N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 97081589) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID97081589
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ncccn2)no1)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-16(22-12-14-11-15(14)13-5-2-1-3-6-13)7-8-17-23-19(24-26-17)18-20-9-4-10-21-18/h1-6,9-10,14-15H,7-8,11-12H2,(H,22,25)/t14-,15-/m1/s1
InChIKeyDLJMTZKJVMUDAT-HUUCEWRRSA-N
XLogP2.38
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 97081589) is N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ncccn2)no1)NC[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DLJMTZKJVMUDAT-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-16(22-12-14-11-15(14)13-5-2-1-3-6-13)7-8-17-23-19(24-26-17)18-20-9-4-10-21-18/h1-6,9-10,14-15H,7-8,11-12H2,(H,22,25)/t14-,15-/m1/s1.
What are the key properties of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 97081589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).