N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide

C26H35N5O3 — CID 131954188

IUPACN-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C26H35N5O3/c32-23(15-14-22-28-21-9-5-4-8-20(21)25(33)29-22)27-19-12-10-18(11-13-19)26-31-30-24(34-26)16-17-6-2-1-3-7-17/h1-3,6-7,18-22,28H,4-5,8-16H2,(H,27,32)(H,29,33)
InChIKeyZPVWVAHYLNJYOP-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.19
Rot. Bonds7

About N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide

N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide (PubChem CID 131954188) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide
PubChem CID131954188
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C26H35N5O3/c32-23(15-14-22-28-21-9-5-4-8-20(21)25(33)29-22)27-19-12-10-18(11-13-19)26-31-30-24(34-26)16-17-6-2-1-3-7-17/h1-3,6-7,18-22,28H,4-5,8-16H2,(H,27,32)(H,29,33)
InChIKeyZPVWVAHYLNJYOP-UHFFFAOYSA-N
XLogP3.19
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide with MolForge

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Related Compounds

2-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]acetamide
CID 131954147
2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954094
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
CID 70913925
2-[4-oxo-4-[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954068
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
CID 46999941
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide
CID 118608772
N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
CID 139993480
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide (CID 131954188) is N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide is O=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(Cc3ccccc3)o2)CC1.
What is the InChIKey of N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide?
The InChIKey is ZPVWVAHYLNJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c32-23(15-14-22-28-21-9-5-4-8-20(21)25(33)29-22)27-19-12-10-18(11-13-19)26-31-30-24(34-26)16-17-6-2-1-3-7-17/h1-3,6-7,18-22,28H,4-5,8-16H2,(H,27,32)(H,29,33).
What are the key properties of N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide?
N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)cyclohexyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 131954188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).