N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

C17H20N2O — CID 43704863

IUPACN-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC(C3CC3)C3CC3)cc2)co1
InChIInChI=1S/C17H20N2O/c1-11-18-16(10-20-11)12-6-8-15(9-7-12)19-17(13-2-3-13)14-4-5-14/h6-10,13-14,17,19H,2-5H2,1H3
InChIKeyIBIPFNORWHGLTH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.25
Rot. Bonds5

About N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 43704863) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID43704863
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC(C3CC3)C3CC3)cc2)co1
InChIInChI=1S/C17H20N2O/c1-11-18-16(10-20-11)12-6-8-15(9-7-12)19-17(13-2-3-13)14-4-5-14/h6-10,13-14,17,19H,2-5H2,1H3
InChIKeyIBIPFNORWHGLTH-UHFFFAOYSA-N
XLogP4.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 43704863) is N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NC(C3CC3)C3CC3)cc2)co1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is IBIPFNORWHGLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-18-16(10-20-11)12-6-8-15(9-7-12)19-17(13-2-3-13)14-4-5-14/h6-10,13-14,17,19H,2-5H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 268.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 43704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).