N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

C16H19N3O — CID 43701841

IUPACN-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C16H19N3O/c1-10-2-3-13(16-19-17-9-20-16)8-14(10)18-15(11-4-5-11)12-6-7-12/h2-3,8-9,11-12,15,18H,4-7H2,1H3
InChIKeyPCMCNIBBXPMUDT-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.65
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701841) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701841
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C16H19N3O/c1-10-2-3-13(16-19-17-9-20-16)8-14(10)18-15(11-4-5-11)12-6-7-12/h2-3,8-9,11-12,15,18H,4-7H2,1H3
InChIKeyPCMCNIBBXPMUDT-UHFFFAOYSA-N
XLogP3.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701835
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 63946916
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131572
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701911
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
2-methyl-N-(3-methylsulfanylpropyl)-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701561
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701841) is N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(-c2nnco2)cc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is PCMCNIBBXPMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-2-3-13(16-19-17-9-20-16)8-14(10)18-15(11-4-5-11)12-6-7-12/h2-3,8-9,11-12,15,18H,4-7H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 269.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).