N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine

C11H13N3O — CID 115022985

IUPACN-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1oncc1Nc1cccc(CN)c1
InChIInChI=1S/C11H13N3O/c1-8-11(7-13-15-8)14-10-4-2-3-9(5-10)6-12/h2-5,7,14H,6,12H2,1H3
InChIKeyZOUHTATUJBDWCN-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine

N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine (PubChem CID 115022985) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
PubChem CID115022985
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1oncc1Nc1cccc(CN)c1
InChIInChI=1S/C11H13N3O/c1-8-11(7-13-15-8)14-10-4-2-3-9(5-10)6-12/h2-5,7,14H,6,12H2,1H3
InChIKeyZOUHTATUJBDWCN-UHFFFAOYSA-N
XLogP2.19
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022984
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]cinnolin-4-amine
CID 63767613
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
CID 59849461
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
N-[3-(aminomethyl)phenyl]-2-ethyl-6-methylaniline
CID 117027291
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine (CID 115022985) is N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine is Cc1oncc1Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine?
The InChIKey is ZOUHTATUJBDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-11(7-13-15-8)14-10-4-2-3-9(5-10)6-12/h2-5,7,14H,6,12H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine?
N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine has a molecular weight of 203.24 g/mol, XLogP of 2.19, 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]-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 115022985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).