N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C17H29N3O3 — CID 99827789

IUPACN-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)n1
InChIInChI=1S/C17H29N3O3/c1-12-18-16(23-20-12)11-22-10-15(21)19-14-7-5-6-13(8-9-14)17(2,3)4/h13-14H,5-11H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyZXRRELPGHFLCMZ-KBPBESRZSA-N
MW323.44 g/mol
LogP3.01
Rot. Bonds5

About N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 99827789) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID99827789
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)n1
InChIInChI=1S/C17H29N3O3/c1-12-18-16(23-20-12)11-22-10-15(21)19-14-7-5-6-13(8-9-14)17(2,3)4/h13-14H,5-11H2,1-4H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyZXRRELPGHFLCMZ-KBPBESRZSA-N
XLogP3.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-[1-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 119568004
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103720143
N-cyclopropyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 106659565
N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 71906700
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
CID 119170018
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
(2S,3aS,7aR)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152157
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 99827789) is N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)n1.
What is the InChIKey of N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is ZXRRELPGHFLCMZ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12-18-16(23-20-12)11-22-10-15(21)19-14-7-5-6-13(8-9-14)17(2,3)4/h13-14H,5-11H2,1-4H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 99827789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).