N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide

C16H17N3O4 — CID 71935216

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccon2)cc1N1CCCCC1=O
InChIInChI=1S/C16H17N3O4/c1-22-14-6-5-11(17-16(21)12-7-9-23-18-12)10-13(14)19-8-3-2-4-15(19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,21)
InChIKeyXKJOIDUCMHZBBY-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.45
Rot. Bonds4

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 71935216) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID71935216
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccon2)cc1N1CCCCC1=O
InChIInChI=1S/C16H17N3O4/c1-22-14-6-5-11(17-16(21)12-7-9-23-18-12)10-13(14)19-8-3-2-4-15(19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,21)
InChIKeyXKJOIDUCMHZBBY-UHFFFAOYSA-N
XLogP2.45
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 35387582
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777588
1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47047172
3-chloro-6-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55691945
6-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 47031678

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 71935216) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2ccon2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XKJOIDUCMHZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-14-6-5-11(17-16(21)12-7-9-23-18-12)10-13(14)19-8-3-2-4-15(19)20/h5-7,9-10H,2-4,8H2,1H3,(H,17,21).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71935216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).