3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C14H23N3O4S — CID 167416098

IUPAC3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)NS(=O)(=O)N3CCCC3)CCCC12
InChIInChI=1S/C14H23N3O4S/c1-10(2)12-11-6-5-7-14(11,21-15-12)13(18)16-22(19,20)17-8-3-4-9-17/h10-11H,3-9H2,1-2H3,(H,16,18)
InChIKeyVMDOACUSFUJUHH-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.02
Rot. Bonds4

About 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416098) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416098
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)NS(=O)(=O)N3CCCC3)CCCC12
InChIInChI=1S/C14H23N3O4S/c1-10(2)12-11-6-5-7-14(11,21-15-12)13(18)16-22(19,20)17-8-3-4-9-17/h10-11H,3-9H2,1-2H3,(H,16,18)
InChIKeyVMDOACUSFUJUHH-UHFFFAOYSA-N
XLogP1.02
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate
CID 166662501
3-methyl-N-(propan-2-ylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662547
N-(dimethylsulfamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662548
3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662552
N-[methoxy(methyl)sulfamoyl]-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662617
3-methyl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662618
(3-Methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
CID 166662632
3-tert-butyl-N-[methyl(propan-2-yl)sulfamoyl]-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416026
3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416039
3-tert-butyl-N-(methylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416080
N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416139
3-tert-butyl-N-(dimethylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416158

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416098) is 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC(C)C1=NOC2(C(=O)NS(=O)(=O)N3CCCC3)CCCC12.
What is the InChIKey of 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is VMDOACUSFUJUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10(2)12-11-6-5-7-14(11,21-15-12)13(18)16-22(19,20)17-8-3-4-9-17/h10-11H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).