N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide

C18H25N3O3S — CID 129003546

IUPACN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCC(C)c1noc(C(NC(=O)C(C)c2cccs2)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3S/c1-11(2)16-20-18(24-21-16)15(13-6-8-23-9-7-13)19-17(22)12(3)14-5-4-10-25-14/h4-5,10-13,15H,6-9H2,1-3H3,(H,19,22)
InChIKeyDJMGPIGBURKTPS-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.64
Rot. Bonds6

About N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide

N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide (PubChem CID 129003546) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
PubChem CID129003546
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCC(C)c1noc(C(NC(=O)C(C)c2cccs2)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3S/c1-11(2)16-20-18(24-21-16)15(13-6-8-23-9-7-13)19-17(22)12(3)14-5-4-10-25-14/h4-5,10-13,15H,6-9H2,1-3H3,(H,19,22)
InChIKeyDJMGPIGBURKTPS-UHFFFAOYSA-N
XLogP3.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
CID 129471846
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 129471925
(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 129351417
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 129471841
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 129473439
N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 129473440
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
CID 129472264
1-(4-methyl-3-pyridinyl)-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129339097
1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129477625
2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 128994165

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide (CID 129003546) is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide is CC(C)c1noc(C(NC(=O)C(C)c2cccs2)C2CCOCC2)n1.
What is the InChIKey of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide?
The InChIKey is DJMGPIGBURKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-11(2)16-20-18(24-21-16)15(13-6-8-23-9-7-13)19-17(22)12(3)14-5-4-10-25-14/h4-5,10-13,15H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide?
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 129003546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).