N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H17N3O5S — CID 38466362

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17N3O5S/c22-17(19-13-6-7-16-15(11-13)20-18(23)26-16)12-4-3-5-14(10-12)27(24,25)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,19,22)(H,20,23)
InChIKeyVGOLPQNQZKOCAH-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.16
Rot. Bonds4

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 38466362) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID38466362
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17N3O5S/c22-17(19-13-6-7-16-15(11-13)20-18(23)26-16)12-4-3-5-14(10-12)27(24,25)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,19,22)(H,20,23)
InChIKeyVGOLPQNQZKOCAH-UHFFFAOYSA-N
XLogP2.16
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
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N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
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CID 1202069
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 75980251
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 38466362) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VGOLPQNQZKOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-17(19-13-6-7-16-15(11-13)20-18(23)26-16)12-4-3-5-14(10-12)27(24,25)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 387.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 38466362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).