3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine

C16H20N2O — CID 117394468

IUPAC3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine
SMILESCC1CCC(c2ccc(-c3cc(N)on3)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15-10-16(17)19-18-15/h6-12H,2-5,17H2,1H3
InChIKeyKHHRGCVEZORXLQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.22
Rot. Bonds2

About 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine

3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117394468) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117394468
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine
SMILESCC1CCC(c2ccc(-c3cc(N)on3)cc2)CC1
InChIInChI=1S/C16H20N2O/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15-10-16(17)19-18-15/h6-12H,2-5,17H2,1H3
InChIKeyKHHRGCVEZORXLQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
CID 117360425
3-[4-(thietan-3-yl)phenyl]-1,2-oxazol-5-amine
CID 117336607
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
5-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]benzene-1,3-diamine
CID 58479203
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
CID 146254030
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine (CID 117394468) is 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine is CC1CCC(c2ccc(-c3cc(N)on3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is KHHRGCVEZORXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)15-10-16(17)19-18-15/h6-12H,2-5,17H2,1H3.
What are the key properties of 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117394468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).