N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine

C10H11N3O — CID 82669485

IUPACN-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine
SMILESNc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C10H11N3O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyCPNBWDFEVJAYHC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.87
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine

N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 82669485) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine
PubChem CID82669485
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine
SMILESNc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C10H11N3O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyCPNBWDFEVJAYHC-UHFFFAOYSA-N
XLogP1.87
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
CID 170537548
N-ethyl-1,2-oxazol-3-amine;hydrochloride
CID 89422608
N-[(4-aminophenyl)methyl]pyridazin-3-amine
CID 62482247
CID 59694793
CID 59694793
2-(1,2-oxazol-3-ylamino)ethanol
CID 66605980
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine
CID 170855880
N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59531410

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine (CID 82669485) is N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine is Nc1ccc(CNc2ccon2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is CPNBWDFEVJAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-9-3-1-8(2-4-9)7-12-10-5-6-14-13-10/h1-6H,7,11H2,(H,12,13).
What are the key properties of N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine?
N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 82669485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).