N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C12H21N3O2 — CID 94796998

IUPACN-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H](C)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-12(17-15-10)8-7-11(16)13-9(3)5-2/h9H,4-8H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyCJTAPORLWWCXTJ-VIFPVBQESA-N
MW239.32 g/mol
LogP1.87
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 94796998) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID94796998
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H](C)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-12(17-15-10)8-7-11(16)13-9(3)5-2/h9H,4-8H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyCJTAPORLWWCXTJ-VIFPVBQESA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 94796998) is N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N[C@@H](C)CC)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CJTAPORLWWCXTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-10-14-12(17-15-10)8-7-11(16)13-9(3)5-2/h9H,4-8H2,1-3H3,(H,13,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 94796998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).