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

C12H13N3O — CID 103438990

IUPACN-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC1CC1
InChIInChI=1S/C12H13N3O/c1-8-2-3-9(12-15-13-7-16-12)6-11(8)14-10-4-5-10/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyLVMWTMKUUCCDMX-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.62
Rot. Bonds3

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

N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 103438990) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID103438990
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NC1CC1
InChIInChI=1S/C12H13N3O/c1-8-2-3-9(12-15-13-7-16-12)6-11(8)14-10-4-5-10/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyLVMWTMKUUCCDMX-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 54906793
N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701841
N-(1-cyclopropylethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701835
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiolan-3-ylmethyl)aniline
CID 107131572
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
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 103438990) is N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(-c2nnco2)cc1NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is LVMWTMKUUCCDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-2-3-9(12-15-13-7-16-12)6-11(8)14-10-4-5-10/h2-3,6-7,10,14H,4-5H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 215.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 103438990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).