N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline

C12H15N3O2 — CID 55085987

IUPACN-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOCC(C)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O2/c1-9(7-16-2)14-11-5-3-10(4-6-11)12-15-13-8-17-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyLOYVDPYNCPYBTE-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.18
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline

N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 55085987) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID55085987
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOCC(C)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H15N3O2/c1-9(7-16-2)14-11-5-3-10(4-6-11)12-15-13-8-17-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyLOYVDPYNCPYBTE-UHFFFAOYSA-N
XLogP2.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206403
N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115929055
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (CID 55085987) is N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is COCC(C)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is LOYVDPYNCPYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(7-16-2)14-11-5-3-10(4-6-11)12-15-13-8-17-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 233.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 55085987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).