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

C16H23N3O — CID 63946916

IUPACN-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCCCC(CC)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C16H23N3O/c1-4-6-7-14(5-2)18-15-10-13(9-8-12(15)3)16-19-17-11-20-16/h8-11,14,18H,4-7H2,1-3H3
InChIKeyLQPLAOWYIGOYBV-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.43
Rot. Bonds7

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

N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 63946916) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID63946916
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCCCC(CC)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C16H23N3O/c1-4-6-7-14(5-2)18-15-10-13(9-8-12(15)3)16-19-17-11-20-16/h8-11,14,18H,4-7H2,1-3H3
InChIKeyLQPLAOWYIGOYBV-UHFFFAOYSA-N
XLogP4.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111453598
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
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 63946916) is N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is CCCCC(CC)Nc1cc(-c2nnco2)ccc1C.
What is the InChIKey of N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is LQPLAOWYIGOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-6-7-14(5-2)18-15-10-13(9-8-12(15)3)16-19-17-11-20-16/h8-11,14,18H,4-7H2,1-3H3.
What are the key properties of N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 273.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 63946916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).