2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide

C12H13N3O2 — CID 106420098

IUPAC2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCNc1ccccc1C(=O)NCc1ccno1
InChIInChI=1S/C12H13N3O2/c1-13-11-5-3-2-4-10(11)12(16)14-8-9-6-7-15-17-9/h2-7,13H,8H2,1H3,(H,14,16)
InChIKeyOIJNERTVWKLQFM-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.65
Rot. Bonds4

About 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide

2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106420098) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106420098
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCNc1ccccc1C(=O)NCc1ccno1
InChIInChI=1S/C12H13N3O2/c1-13-11-5-3-2-4-10(11)12(16)14-8-9-6-7-15-17-9/h2-7,13H,8H2,1H3,(H,14,16)
InChIKeyOIJNERTVWKLQFM-UHFFFAOYSA-N
XLogP1.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
N-(1,2-oxazol-5-ylmethyl)-2-propan-2-yloxybenzamide
CID 122135765
3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 75472679
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
5-(methylamino)-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 106423124

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106420098) is 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide is CNc1ccccc1C(=O)NCc1ccno1.
What is the InChIKey of 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is OIJNERTVWKLQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-13-11-5-3-2-4-10(11)12(16)14-8-9-6-7-15-17-9/h2-7,13H,8H2,1H3,(H,14,16).
What are the key properties of 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106420098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).