3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide

C16H21N3O3S — CID 128966227

IUPAC3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(c1nc(C)no1)C1CCOCC1
InChIInChI=1S/C16H21N3O3S/c1-3-11-6-9-23-14(11)15(20)18-13(12-4-7-21-8-5-12)16-17-10(2)19-22-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,18,20)
InChIKeyYKFCPYOMUFDXEK-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.90
Rot. Bonds5

About 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide

3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 128966227) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID128966227
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(c1nc(C)no1)C1CCOCC1
InChIInChI=1S/C16H21N3O3S/c1-3-11-6-9-23-14(11)15(20)18-13(12-4-7-21-8-5-12)16-17-10(2)19-22-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,18,20)
InChIKeyYKFCPYOMUFDXEK-UHFFFAOYSA-N
XLogP2.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 128987859
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 129326419
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 129471925
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide
CID 128973960
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129328326
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129330509
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129340058

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide (CID 128966227) is 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NC(c1nc(C)no1)C1CCOCC1.
What is the InChIKey of 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YKFCPYOMUFDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-11-6-9-23-14(11)15(20)18-13(12-4-7-21-8-5-12)16-17-10(2)19-22-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide?
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 128966227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).