N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide

C16H20N4O3 — CID 54516440

IUPACN-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide
SMILESCCCn1nc(C2CN(CNC(C)=O)C(=O)O2)c2ccccc21
InChIInChI=1S/C16H20N4O3/c1-3-8-20-13-7-5-4-6-12(13)15(18-20)14-9-19(16(22)23-14)10-17-11(2)21/h4-7,14H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyYMTDJFUJEHSZLB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.03
Rot. Bonds5

About N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide

N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide (PubChem CID 54516440) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide
PubChem CID54516440
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide
SMILESCCCn1nc(C2CN(CNC(C)=O)C(=O)O2)c2ccccc21
InChIInChI=1S/C16H20N4O3/c1-3-8-20-13-7-5-4-6-12(13)15(18-20)14-9-19(16(22)23-14)10-17-11(2)21/h4-7,14H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyYMTDJFUJEHSZLB-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162644861
3-{[(3-Fluorophenyl)methoxy]methyl}-1-methyl-N-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018366
N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018374
1-methyl-3-(morpholin-2-yl)-1H-indazole hydrochloride
CID 154852944
3-[(benzyloxy)methyl]-1-methyl-N-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018226
3-[(benzyloxy)methyl]-1-methyl-N-(2-methylphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018240
N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide
CID 71811992
(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid
CID 122458252
tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate
CID 122494402
1-[1-[(4-Aminophenyl)methyl]-5-fluoroindazol-3-yl]ethyl acetate
CID 140262989
(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium
CID 140738709
(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium
CID 140738737

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide (CID 54516440) is N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide is CCCn1nc(C2CN(CNC(C)=O)C(=O)O2)c2ccccc21.
What is the InChIKey of N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide?
The InChIKey is YMTDJFUJEHSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-8-20-13-7-5-4-6-12(13)15(18-20)14-9-19(16(22)23-14)10-17-11(2)21/h4-7,14H,3,8-10H2,1-2H3,(H,17,21).
What are the key properties of N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide?
N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-5-(1-propylindazol-3-yl)-1,3-oxazolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 54516440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).