N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline

C18H15N5O — CID 75388942

IUPACN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline
SMILESc1ccc(-c2nc(CNc3cccc(-c4ncn[nH]4)c3)co2)cc1
InChIInChI=1S/C18H15N5O/c1-2-5-13(6-3-1)18-22-16(11-24-18)10-19-15-8-4-7-14(9-15)17-20-12-21-23-17/h1-9,11-12,19H,10H2,(H,20,21,23)
InChIKeyYYEPAXSJJDLRBB-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.74
Rot. Bonds5

About N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline

N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline (PubChem CID 75388942) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline
PubChem CID75388942
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline
SMILESc1ccc(-c2nc(CNc3cccc(-c4ncn[nH]4)c3)co2)cc1
InChIInChI=1S/C18H15N5O/c1-2-5-13(6-3-1)18-22-16(11-24-18)10-19-15-8-4-7-14(9-15)17-20-12-21-23-17/h1-9,11-12,19H,10H2,(H,20,21,23)
InChIKeyYYEPAXSJJDLRBB-UHFFFAOYSA-N
XLogP3.74
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]guanidine
CID 111981277
N-[[4-(azetidin-1-yl)phenyl]methyl]-3-(1H-1,2,4-triazol-5-yl)aniline
CID 167890883
1,5-dimethyl-4-[[3-(1H-1,2,4-triazol-5-yl)anilino]methyl]pyrrole-2-carbonitrile
CID 75432402
6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133464678
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
tert-butyl 4-[[3-(1H-1,2,4-triazol-5-yl)anilino]methyl]benzoate
CID 86815500
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 75497957
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71996201
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 109461076
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111551838
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline?
The IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline (CID 75388942) is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline.
What is the SMILES notation for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline?
The canonical SMILES for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline is c1ccc(-c2nc(CNc3cccc(-c4ncn[nH]4)c3)co2)cc1.
What is the InChIKey of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline?
The InChIKey is YYEPAXSJJDLRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-5-13(6-3-1)18-22-16(11-24-18)10-19-15-8-4-7-14(9-15)17-20-12-21-23-17/h1-9,11-12,19H,10H2,(H,20,21,23).
What are the key properties of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline?
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline has a molecular weight of 317.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline is sourced from PubChem (CID 75388942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).