N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

C17H17N3O — CID 56662110

IUPACN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ccccc1-c1nc(CNCc2cccnc2)co1
InChIInChI=1S/C17H17N3O/c1-13-5-2-3-7-16(13)17-20-15(12-21-17)11-19-10-14-6-4-8-18-9-14/h2-9,12,19H,10-11H2,1H3
InChIKeyDVHLRKSARCYYBE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.33
Rot. Bonds5

About N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 56662110) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID56662110
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ccccc1-c1nc(CNCc2cccnc2)co1
InChIInChI=1S/C17H17N3O/c1-13-5-2-3-7-16(13)17-20-15(12-21-17)11-19-10-14-6-4-8-18-9-14/h2-9,12,19H,10-11H2,1H3
InChIKeyDVHLRKSARCYYBE-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 56669387
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56671971
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56675870
[2-(2-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 55255073
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 56672843
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
CID 56675593
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760396

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (CID 56662110) is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is Cc1ccccc1-c1nc(CNCc2cccnc2)co1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is DVHLRKSARCYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-5-2-3-7-16(13)17-20-15(12-21-17)11-19-10-14-6-4-8-18-9-14/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56662110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).