N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C12H13N3O2 — CID 63254601

IUPACN-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN)c2)on1
InChIInChI=1S/C12H13N3O2/c1-8-5-11(17-15-8)12(16)14-10-4-2-3-9(6-10)7-13/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyDRONHJDJSSNJSN-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 63254601) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID63254601
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN)c2)on1
InChIInChI=1S/C12H13N3O2/c1-8-5-11(17-15-8)12(16)14-10-4-2-3-9(6-10)7-13/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyDRONHJDJSSNJSN-UHFFFAOYSA-N
XLogP1.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802743
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
CID 28776681
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70234459
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 63254601) is N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(CN)c2)on1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DRONHJDJSSNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-5-11(17-15-8)12(16)14-10-4-2-3-9(6-10)7-13/h2-6H,7,13H2,1H3,(H,14,16).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 63254601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).