4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide

C16H19N3O3 — CID 97241141

IUPAC4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-11-15(19-22-18-11)16(20)17-14(9-12-7-8-21-10-12)13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyHIAUNEMCLSQGKG-JSGCOSHPSA-N
MW301.35 g/mol
LogP2.28
Rot. Bonds5

About 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 97241141) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID97241141
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-11-15(19-22-18-11)16(20)17-14(9-12-7-8-21-10-12)13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3,(H,17,20)/t12-,14-/m0/s1
InChIKeyHIAUNEMCLSQGKG-JSGCOSHPSA-N
XLogP2.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146102321
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide (CID 97241141) is 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HIAUNEMCLSQGKG-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-15(19-22-18-11)16(20)17-14(9-12-7-8-21-10-12)13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3,(H,17,20)/t12-,14-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 97241141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).