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

C14H17N3O — CID 43701835

IUPACN-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC(C)C1CC1
InChIInChI=1S/C14H17N3O/c1-9-3-4-12(14-17-15-8-18-14)7-13(9)16-10(2)11-5-6-11/h3-4,7-8,10-11,16H,5-6H2,1-2H3
InChIKeyMYQXYHYVMWZOIS-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.26
Rot. Bonds4

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

N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701835) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701835
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC(C)C1CC1
InChIInChI=1S/C14H17N3O/c1-9-3-4-12(14-17-15-8-18-14)7-13(9)16-10(2)11-5-6-11/h3-4,7-8,10-11,16H,5-6H2,1-2H3
InChIKeyMYQXYHYVMWZOIS-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701841
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701911
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
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701835) is N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(-c2nnco2)cc1NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MYQXYHYVMWZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-4-12(14-17-15-8-18-14)7-13(9)16-10(2)11-5-6-11/h3-4,7-8,10-11,16H,5-6H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 243.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).