N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline

C14H18N2O — CID 54864396

IUPACN-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
SMILESCC(C)C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)11(3)16-13-6-4-12(5-7-13)14-8-15-9-17-14/h4-11,16H,1-3H3
InChIKeyQHXCEQWPXUQTDJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.80
Rot. Bonds4

About N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline

N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline (PubChem CID 54864396) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
PubChem CID54864396
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
SMILESCC(C)C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)11(3)16-13-6-4-12(5-7-13)14-8-15-9-17-14/h4-11,16H,1-3H3
InChIKeyQHXCEQWPXUQTDJ-UHFFFAOYSA-N
XLogP3.80
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline (CID 54864396) is N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline is CC(C)C(C)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is QHXCEQWPXUQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)11(3)16-13-6-4-12(5-7-13)14-8-15-9-17-14/h4-11,16H,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 230.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 54864396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).