methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate

C17H16N4O3 — CID 71918805

IUPACmethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H16N4O3/c1-23-17(22)19-14-9-5-8-13(10-14)18-11-15-20-21-16(24-15)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,22)
InChIKeyAFFHNQFKUJSFNE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.53
Rot. Bonds5

About methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate

methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate (PubChem CID 71918805) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
PubChem CID71918805
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Namemethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H16N4O3/c1-23-17(22)19-14-9-5-8-13(10-14)18-11-15-20-21-16(24-15)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,22)
InChIKeyAFFHNQFKUJSFNE-UHFFFAOYSA-N
XLogP3.53
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765
N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520954
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
CID 15990135

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate (CID 71918805) is methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate is COC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate?
The InChIKey is AFFHNQFKUJSFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-17(22)19-14-9-5-8-13(10-14)18-11-15-20-21-16(24-15)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,22).
What are the key properties of methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate?
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate has a molecular weight of 324.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 71918805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).