N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H23N3O2 — CID 110334279

IUPACN-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)o2)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-7-14(12-13)18-21-20-17(23-18)11-10-16(22)19-15-8-3-2-4-9-15/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22)
InChIKeyDZGRAWBCSJXGRB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds5

About N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334279) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334279
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)o2)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-7-14(12-13)18-21-20-17(23-18)11-10-16(22)19-15-8-3-2-4-9-15/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22)
InChIKeyDZGRAWBCSJXGRB-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-cycloheptyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 17440127
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
N-cyclopentyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330351
N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417737
1-cyclopentyl-3-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiourea
CID 9090178
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51932289
N-[(1R,2R)-2-methylcyclohexyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9084484

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334279) is N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)o2)c1.
What is the InChIKey of N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DZGRAWBCSJXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-5-7-14(12-13)18-21-20-17(23-18)11-10-16(22)19-15-8-3-2-4-9-15/h5-7,12,15H,2-4,8-11H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).