N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide

C16H25N3O3 — CID 128994627

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1nc(C2CCCCC2)no1)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11(20)17-14(12-7-9-21-10-8-12)16-18-15(19-22-16)13-5-3-2-4-6-13/h12-14H,2-10H2,1H3,(H,17,20)
InChIKeyLJPVDZXBXRJEOK-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.72
Rot. Bonds4

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide (PubChem CID 128994627) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
PubChem CID128994627
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
SMILESCC(=O)NC(c1nc(C2CCCCC2)no1)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11(20)17-14(12-7-9-21-10-8-12)16-18-15(19-22-16)13-5-3-2-4-6-13/h12-14H,2-10H2,1H3,(H,17,20)
InChIKeyLJPVDZXBXRJEOK-UHFFFAOYSA-N
XLogP2.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129341672
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 128994619
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500634
N-[(R)-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129337758
1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
CID 129333525
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
1-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide (CID 128994627) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide is CC(=O)NC(c1nc(C2CCCCC2)no1)C1CCOCC1.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
The InChIKey is LJPVDZXBXRJEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(20)17-14(12-7-9-21-10-8-12)16-18-15(19-22-16)13-5-3-2-4-6-13/h12-14H,2-10H2,1H3,(H,17,20).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 128994627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).