5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide

C18H20N2O5S — CID 102560873

IUPAC5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOC1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C18H20N2O5S/c21-17(20-26(22,23)11-12-8-9-24-10-12)15-16(13-6-7-13)25-18(19-15)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,20,21)
InChIKeyAPCQLAMYPRFWRJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.32
Rot. Bonds6

About 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 102560873) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID102560873
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOC1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C18H20N2O5S/c21-17(20-26(22,23)11-12-8-9-24-10-12)15-16(13-6-7-13)25-18(19-15)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,20,21)
InChIKeyAPCQLAMYPRFWRJ-UHFFFAOYSA-N
XLogP2.32
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71861106
5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 102560879
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
5-cyclopropyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86963414
5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86878680
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
CID 75384526
N-(oxolan-3-ylmethylsulfonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 119033627
5-cyclopropyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86875245
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 102560873) is 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NS(=O)(=O)CC1CCOC1)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is APCQLAMYPRFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-17(20-26(22,23)11-12-8-9-24-10-12)15-16(13-6-7-13)25-18(19-15)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,20,21).
What are the key properties of 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 102560873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).