N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide

C18H15N5O2S — CID 126850569

IUPACN-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C18H15N5O2S/c24-17(19-12-6-3-7-13-16(12)22-26-21-13)14-8-4-10-23(14)18-20-11-5-1-2-9-15(11)25-18/h1-3,5-7,9,14H,4,8,10H2,(H,19,24)
InChIKeyXSUIDQVBRICOEL-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.44
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 126850569) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID126850569
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C18H15N5O2S/c24-17(19-12-6-3-7-13-16(12)22-26-21-13)14-8-4-10-23(14)18-20-11-5-1-2-9-15(11)25-18/h1-3,5-7,9,14H,4,8,10H2,(H,19,24)
InChIKeyXSUIDQVBRICOEL-UHFFFAOYSA-N
XLogP3.44
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-bromophenyl)pyrrolidine-2-carboxamide
CID 71809846
(2S)-1-(1,3-benzoxazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124759150
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-(1,3-benzoxazol-2-yl)-N-[3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 126850565
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chlorophenyl)pyrrolidine-2-carboxamide
CID 20862295
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
(2S)-N-(1-benzhydrylazetidin-3-yl)-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide
CID 57139910
propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate
CID 23397364

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide (CID 126850569) is N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1cccc2nsnc12)C1CCCN1c1nc2ccccc2o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is XSUIDQVBRICOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-17(19-12-6-3-7-13-16(12)22-26-21-13)14-8-4-10-23(14)18-20-11-5-1-2-9-15(11)25-18/h1-3,5-7,9,14H,4,8,10H2,(H,19,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126850569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).