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

C24H31N5O3S — CID 131954147

IUPAC2-[(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
SMILESO=C(CSC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C24H31N5O3S/c30-20(14-33-24-26-19-9-5-4-8-18(19)21(31)27-24)25-17-12-10-16(11-13-17)23-29-28-22(32-23)15-6-2-1-3-7-15/h1-3,6-7,16-19,24,26H,4-5,8-14H2,(H,25,30)(H,27,31)
InChIKeyADZOSDOSGIRPSY-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.17
Rot. Bonds6

About 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

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 (PubChem CID 131954147) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID131954147
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name2-[(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
SMILESO=C(CSC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C24H31N5O3S/c30-20(14-33-24-26-19-9-5-4-8-18(19)21(31)27-24)25-17-12-10-16(11-13-17)23-29-28-22(32-23)15-6-2-1-3-7-15/h1-3,6-7,16-19,24,26H,4-5,8-14H2,(H,25,30)(H,27,31)
InChIKeyADZOSDOSGIRPSY-UHFFFAOYSA-N
XLogP3.17
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[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
3-[(1-oxo-2H-isoquinolin-3-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 76685129
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
4-[(4-oxo-3H-quinolin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide
CID 158920025
2-[4-oxo-4-[4-(5-pyridin-3-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 131954067
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
2-[4-[4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954078
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CSC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 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?
The InChIKey is ADZOSDOSGIRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c30-20(14-33-24-26-19-9-5-4-8-18(19)21(31)27-24)25-17-12-10-16(11-13-17)23-29-28-22(32-23)15-6-2-1-3-7-15/h1-3,6-7,16-19,24,26H,4-5,8-14H2,(H,25,30)(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 469.61 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131954147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).