1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide

C16H19N3O5S — CID 171142177

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CC(Oc2ccccc2)CC1C(N)=O
InChIInChI=1S/C16H19N3O5S/c1-10-15(11(2)24-18-10)25(21,22)19-9-13(8-14(19)16(17)20)23-12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H2,17,20)
InChIKeyLRYSTVLCJMASLC-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.99
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 171142177) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
PubChem CID171142177
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CC(Oc2ccccc2)CC1C(N)=O
InChIInChI=1S/C16H19N3O5S/c1-10-15(11(2)24-18-10)25(21,22)19-9-13(8-14(19)16(17)20)23-12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H2,17,20)
InChIKeyLRYSTVLCJMASLC-UHFFFAOYSA-N
XLogP0.99
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7477321
benzyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 11926279
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanone
CID 22109863
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999
(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56755686
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
(3S)-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 24567867
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 40797674
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43210339

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide (CID 171142177) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CC(Oc2ccccc2)CC1C(N)=O.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is LRYSTVLCJMASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-10-15(11(2)24-18-10)25(21,22)19-9-13(8-14(19)16(17)20)23-12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 171142177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).