N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C16H18N2O4S — CID 18137647

IUPACN-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c19-15(18-13-8-9-23(20,21)11-13)6-7-16-17-10-14(22-16)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19)
InChIKeyMVAVLWBENVSOCL-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.58
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 18137647) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID18137647
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c19-15(18-13-8-9-23(20,21)11-13)6-7-16-17-10-14(22-16)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19)
InChIKeyMVAVLWBENVSOCL-UHFFFAOYSA-N
XLogP1.58
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60569130
3-(5-phenyl-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 51309921
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 18137647) is N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is MVAVLWBENVSOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-15(18-13-8-9-23(20,21)11-13)6-7-16-17-10-14(22-16)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 18137647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).