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

C15H14N4O — CID 68983729

IUPACN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine
SMILESNCc1cc(-c2ccc(Nc3cccnc3)cc2)no1
InChIInChI=1S/C15H14N4O/c16-9-14-8-15(19-20-14)11-3-5-12(6-4-11)18-13-2-1-7-17-10-13/h1-8,10,18H,9,16H2
InChIKeyQKQIIYUVFAVXCQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.94
Rot. Bonds4

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

N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine (PubChem CID 68983729) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine
PubChem CID68983729
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine
SMILESNCc1cc(-c2ccc(Nc3cccnc3)cc2)no1
InChIInChI=1S/C15H14N4O/c16-9-14-8-15(19-20-14)11-3-5-12(6-4-11)18-13-2-1-7-17-10-13/h1-8,10,18H,9,16H2
InChIKeyQKQIIYUVFAVXCQ-UHFFFAOYSA-N
XLogP2.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 42895471
N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]pyridin-3-amine
CID 154783031
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
CID 82371377
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
CID 166062269
[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
CID 57350794
[3-(3-chloro-4-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 106818757
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine?
The IUPAC name of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine (CID 68983729) is N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine?
The canonical SMILES for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine is NCc1cc(-c2ccc(Nc3cccnc3)cc2)no1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine?
The InChIKey is QKQIIYUVFAVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-14-8-15(19-20-14)11-3-5-12(6-4-11)18-13-2-1-7-17-10-13/h1-8,10,18H,9,16H2.
What are the key properties of N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine?
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine has a molecular weight of 266.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine is sourced from PubChem (CID 68983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).