N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline

C14H16N2O — CID 104860103

IUPACN-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline
SMILESCC1CC(Nc2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H16N2O/c1-10-6-13(7-10)16-12-4-2-11(3-5-12)14-8-15-9-17-14/h2-5,8-10,13,16H,6-7H2,1H3
InChIKeyDPKNCHIRPYVPKU-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.55
Rot. Bonds3

About N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline

N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline (PubChem CID 104860103) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline
PubChem CID104860103
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline
SMILESCC1CC(Nc2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H16N2O/c1-10-6-13(7-10)16-12-4-2-11(3-5-12)14-8-15-9-17-14/h2-5,8-10,13,16H,6-7H2,1H3
InChIKeyDPKNCHIRPYVPKU-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline (CID 104860103) is N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline is CC1CC(Nc2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is DPKNCHIRPYVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-13(7-10)16-12-4-2-11(3-5-12)14-8-15-9-17-14/h2-5,8-10,13,16H,6-7H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline?
N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 228.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 104860103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).