N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine

C14H13ClN4O — CID 11289228

IUPACN-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine
SMILESCc1noc2cc(Cl)nc(NCc3ccccc3N)c12
InChIInChI=1S/C14H13ClN4O/c1-8-13-11(20-19-8)6-12(15)18-14(13)17-7-9-4-2-3-5-10(9)16/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyODHAUELHGXSKMZ-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.38
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine

N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 11289228) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine
PubChem CID11289228
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine
SMILESCc1noc2cc(Cl)nc(NCc3ccccc3N)c12
InChIInChI=1S/C14H13ClN4O/c1-8-13-11(20-19-8)6-12(15)18-14(13)17-7-9-4-2-3-5-10(9)16/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyODHAUELHGXSKMZ-UHFFFAOYSA-N
XLogP3.38
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
2-[(2-chloroanilino)methyl]aniline
CID 66387029
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 53054180
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
4-[(2-aminophenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979430
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine (CID 11289228) is N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine is Cc1noc2cc(Cl)nc(NCc3ccccc3N)c12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is ODHAUELHGXSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8-13-11(20-19-8)6-12(15)18-14(13)17-7-9-4-2-3-5-10(9)16/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine?
N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-6-chloro-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 11289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).