N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide

C17H21N3O3 — CID 71925845

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
SMILESCc1nnc(-c2ccccc2NC(=O)CCC2CCC(C)O2)o1
InChIInChI=1S/C17H21N3O3/c1-11-7-8-13(22-11)9-10-16(21)18-15-6-4-3-5-14(15)17-20-19-12(2)23-17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyXZYVZEBSUMEPDC-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide (PubChem CID 71925845) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
PubChem CID71925845
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
SMILESCc1nnc(-c2ccccc2NC(=O)CCC2CCC(C)O2)o1
InChIInChI=1S/C17H21N3O3/c1-11-7-8-13(22-11)9-10-16(21)18-15-6-4-3-5-14(15)17-20-19-12(2)23-17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyXZYVZEBSUMEPDC-UHFFFAOYSA-N
XLogP3.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867247
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
4-cyclohexyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 56813876
2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
CID 56762098
4-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]benzoic acid
CID 119219419
2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219265
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982597
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56812846
N-(3,4-dimethylcyclohexyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 64733940
2-(azetidin-3-ylidene)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675171
3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
CID 97349743
(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 61155830

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide (CID 71925845) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide is Cc1nnc(-c2ccccc2NC(=O)CCC2CCC(C)O2)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide?
The InChIKey is XZYVZEBSUMEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-7-8-13(22-11)9-10-16(21)18-15-6-4-3-5-14(15)17-20-19-12(2)23-17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide is sourced from PubChem (CID 71925845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).