N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide

C9H9N3O3 — CID 121172381

IUPACN-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1oncc1CNC(=O)c1ccno1
InChIInChI=1S/C9H9N3O3/c1-6-7(5-12-14-6)4-10-9(13)8-2-3-11-15-8/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyBVTHCRWLRRCCJF-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.90
Rot. Bonds3

About N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 121172381) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID121172381
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC NameN-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1oncc1CNC(=O)c1ccno1
InChIInChI=1S/C9H9N3O3/c1-6-7(5-12-14-6)4-10-9(13)8-2-3-11-15-8/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyBVTHCRWLRRCCJF-UHFFFAOYSA-N
XLogP0.90
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 119101570
N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 62659482
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 56886081
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119101576
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 71801268

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide (CID 121172381) is N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1oncc1CNC(=O)c1ccno1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BVTHCRWLRRCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-6-7(5-12-14-6)4-10-9(13)8-2-3-11-15-8/h2-3,5H,4H2,1H3,(H,10,13).
What are the key properties of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 207.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121172381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).