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

C18H14N4O3 — CID 22459619

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Nc2nnc(-c3ccccc3)o2)ccc1-c1cnco1
InChIInChI=1S/C18H14N4O3/c1-23-15-9-13(7-8-14(15)16-10-19-11-24-16)20-18-22-21-17(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)
InChIKeyREBGPBSIFIJHMK-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.14
Rot. Bonds5

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 22459619) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID22459619
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Nc2nnc(-c3ccccc3)o2)ccc1-c1cnco1
InChIInChI=1S/C18H14N4O3/c1-23-15-9-13(7-8-14(15)16-10-19-11-24-16)20-18-22-21-17(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)
InChIKeyREBGPBSIFIJHMK-UHFFFAOYSA-N
XLogP4.14
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 10125842
4-methoxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459608
4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459751
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
CID 23563141
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 22459705
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 22459642
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine
CID 21137704
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 22459619) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine is COc1cc(Nc2nnc(-c3ccccc3)o2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is REBGPBSIFIJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-23-15-9-13(7-8-14(15)16-10-19-11-24-16)20-18-22-21-17(25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 334.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 22459619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).