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

C18H24N2O — CID 79836557

IUPACN-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCCCC3(C)C)cc2)co1
InChIInChI=1S/C18H24N2O/c1-13-19-16(12-21-13)14-7-9-15(10-8-14)20-17-6-4-5-11-18(17,2)3/h7-10,12,17,20H,4-6,11H2,1-3H3
InChIKeyXCBHKNUZQORRCB-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.03
Rot. Bonds3

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

N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 79836557) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID79836557
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCCCC3(C)C)cc2)co1
InChIInChI=1S/C18H24N2O/c1-13-19-16(12-21-13)14-7-9-15(10-8-14)20-17-6-4-5-11-18(17,2)3/h7-10,12,17,20H,4-6,11H2,1-3H3
InChIKeyXCBHKNUZQORRCB-UHFFFAOYSA-N
XLogP5.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidin-4-amine
CID 54902966
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
CID 79731406
N-(3,4-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 64734169
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
CID 79828523
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
CID 79834530

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 79836557) is N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NC3CCCCC3(C)C)cc2)co1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is XCBHKNUZQORRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-19-16(12-21-13)14-7-9-15(10-8-14)20-17-6-4-5-11-18(17,2)3/h7-10,12,17,20H,4-6,11H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 284.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 79836557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).