N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C16H19N5O3 — CID 75420030

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1noc(C(C)NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C16H19N5O3/c1-9(15-18-10(2)21-24-15)17-14(22)5-3-4-11-6-7-12-13(8-11)20-16(23)19-12/h6-9H,3-5H2,1-2H3,(H,17,22)(H2,19,20,23)
InChIKeyAVKNZCXTNMCBCH-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.75
Rot. Bonds6

About N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 75420030) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID75420030
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1noc(C(C)NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C16H19N5O3/c1-9(15-18-10(2)21-24-15)17-14(22)5-3-4-11-6-7-12-13(8-11)20-16(23)19-12/h6-9H,3-5H2,1-2H3,(H,17,22)(H2,19,20,23)
InChIKeyAVKNZCXTNMCBCH-UHFFFAOYSA-N
XLogP1.75
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 95049494
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51100367
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 47209092
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 56782403

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 75420030) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is Cc1noc(C(C)NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is AVKNZCXTNMCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9(15-18-10(2)21-24-15)17-14(22)5-3-4-11-6-7-12-13(8-11)20-16(23)19-12/h6-9H,3-5H2,1-2H3,(H,17,22)(H2,19,20,23).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 329.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 75420030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).