N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

C20H26N4O4 — CID 30804092

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCCCc1noc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C20H26N4O4/c1-2-6-17-23-19(28-24-17)11-10-18(25)22-16-9-4-3-8-15(16)20(26)21-13-14-7-5-12-27-14/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,26)(H,22,25)/t14-/m0/s1
InChIKeySMLBRZVOKJSBMW-AWEZNQCLSA-N
MW386.45 g/mol
LogP2.50
Rot. Bonds9

About N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 30804092) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID30804092
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCCCc1noc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C20H26N4O4/c1-2-6-17-23-19(28-24-17)11-10-18(25)22-16-9-4-3-8-15(16)20(26)21-13-14-7-5-12-27-14/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,26)(H,22,25)/t14-/m0/s1
InChIKeySMLBRZVOKJSBMW-AWEZNQCLSA-N
XLogP2.50
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013881
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 30804092) is N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is CCCc1noc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)n1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is SMLBRZVOKJSBMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-2-6-17-23-19(28-24-17)11-10-18(25)22-16-9-4-3-8-15(16)20(26)21-13-14-7-5-12-27-14/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,26)(H,22,25)/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 30804092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).