7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one

C17H19N3O4 — CID 126810896

IUPAC7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)oc12)N1CCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H19N3O4/c21-15(19-7-1-2-8-19)11-6-9-20(10-11)16(22)12-4-3-5-13-14(12)24-17(23)18-13/h3-5,11H,1-2,6-10H2,(H,18,23)
InChIKeyCSYNKHVYIJVXMN-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.21
Rot. Bonds2

About 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one

7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 126810896) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
PubChem CID126810896
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)oc12)N1CCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H19N3O4/c21-15(19-7-1-2-8-19)11-6-9-20(10-11)16(22)12-4-3-5-13-14(12)24-17(23)18-13/h3-5,11H,1-2,6-10H2,(H,18,23)
InChIKeyCSYNKHVYIJVXMN-UHFFFAOYSA-N
XLogP1.21
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358018
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
CID 134796294
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643

Frequently Asked Questions

What is the IUPAC name of 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one (CID 126810896) is 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one is O=C(c1cccc2[nH]c(=O)oc12)N1CCC(C(=O)N2CCCC2)C1.
What is the InChIKey of 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CSYNKHVYIJVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(19-7-1-2-8-19)11-6-9-20(10-11)16(22)12-4-3-5-13-14(12)24-17(23)18-13/h3-5,11H,1-2,6-10H2,(H,18,23).
What are the key properties of 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one?
7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 126810896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).