N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine

C17H16ClN3O — CID 86787323

IUPACN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-6-8-19-9-7-13)20-11-17-21-10-16(22-17)14-4-2-3-5-15(14)18/h2-10,12,20H,11H2,1H3
InChIKeyGGNFQJPVHIYTIO-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.24
Rot. Bonds5

About N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine

N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine (PubChem CID 86787323) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
PubChem CID86787323
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-6-8-19-9-7-13)20-11-17-21-10-16(22-17)14-4-2-3-5-15(14)18/h2-10,12,20H,11H2,1H3
InChIKeyGGNFQJPVHIYTIO-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 82704686
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
(1S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410114
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-(difluoromethoxy)aniline
CID 95904187
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119043514

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine (CID 86787323) is N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine is CC(NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine?
The InChIKey is GGNFQJPVHIYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12(13-6-8-19-9-7-13)20-11-17-21-10-16(22-17)14-4-2-3-5-15(14)18/h2-10,12,20H,11H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine?
N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine has a molecular weight of 313.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 86787323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).