3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine

C16H20N2O — CID 107179756

IUPAC3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(C3CCCC3C)noc2N)cc1
InChIInChI=1S/C16H20N2O/c1-10-6-8-12(9-7-10)14-15(18-19-16(14)17)13-5-3-4-11(13)2/h6-9,11,13H,3-5,17H2,1-2H3
InChIKeyCWDNINQFVPPSHT-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.14
Rot. Bonds2

About 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine

3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 107179756) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID107179756
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(C3CCCC3C)noc2N)cc1
InChIInChI=1S/C16H20N2O/c1-10-6-8-12(9-7-10)14-15(18-19-16(14)17)13-5-3-4-11(13)2/h6-9,11,13H,3-5,17H2,1-2H3
InChIKeyCWDNINQFVPPSHT-UHFFFAOYSA-N
XLogP4.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 43158460
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360
4-(4-methoxyphenyl)-1-methyl-3-(2-methylcyclopentyl)pyrazol-5-amine
CID 107179165
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-methyl-2-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449672

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (CID 107179756) is 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(C3CCCC3C)noc2N)cc1.
What is the InChIKey of 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is CWDNINQFVPPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-8-12(9-7-10)14-15(18-19-16(14)17)13-5-3-4-11(13)2/h6-9,11,13H,3-5,17H2,1-2H3.
What are the key properties of 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107179756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).