3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide

C18H26N4O4S — CID 155492856

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C(C)C
InChIInChI=1S/C18H26N4O4S/c1-11(2)18-19-7-8-22(18)16-10-27(24,25)9-15(16)20-17(23)6-5-14-12(3)21-26-13(14)4/h7-8,11,15-16H,5-6,9-10H2,1-4H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyOJYROWKSIPWELS-HZPDHXFCSA-N
MW394.50 g/mol
LogP1.70
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide (PubChem CID 155492856) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide
PubChem CID155492856
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C(C)C
InChIInChI=1S/C18H26N4O4S/c1-11(2)18-19-7-8-22(18)16-10-27(24,25)9-15(16)20-17(23)6-5-14-12(3)21-26-13(14)4/h7-8,11,15-16H,5-6,9-10H2,1-4H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyOJYROWKSIPWELS-HZPDHXFCSA-N
XLogP1.70
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide (CID 155492856) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide is Cc1noc(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1C(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide?
The InChIKey is OJYROWKSIPWELS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-11(2)18-19-7-8-22(18)16-10-27(24,25)9-15(16)20-17(23)6-5-14-12(3)21-26-13(14)4/h7-8,11,15-16H,5-6,9-10H2,1-4H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide has a molecular weight of 394.50 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide is sourced from PubChem (CID 155492856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).