N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine

C16H20N2OS — CID 142872045

IUPACN-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NSc2ccc(C3CCCCC3)cc2)no1
InChIInChI=1S/C16H20N2OS/c1-12-11-16(17-19-12)18-20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyHKVQKROCWPCWFK-UHFFFAOYSA-N
MW288.42 g/mol
LogP5.15
Rot. Bonds4

About N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine

N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine (PubChem CID 142872045) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine
PubChem CID142872045
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NSc2ccc(C3CCCCC3)cc2)no1
InChIInChI=1S/C16H20N2OS/c1-12-11-16(17-19-12)18-20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyHKVQKROCWPCWFK-UHFFFAOYSA-N
XLogP5.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclohexylphenyl)sulfanyl-3-methylaniline
CID 177246483
N-[4-(3,4-difluorophenyl)phenyl]sulfanyl-5-methyl-1,2-oxazol-3-amine
CID 142871876
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
N-(4-cyclohexylphenyl)sulfanyl-1-methylindazol-4-amine
CID 165409647
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
sodium 3-[(4-cyclohexylphenyl)sulfanylamino]thiophene-2-carboxylate
CID 143757398
5-(4-cyclohexylphenyl)-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 91486153
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea
CID 51122102

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine (CID 142872045) is N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine is Cc1cc(NSc2ccc(C3CCCCC3)cc2)no1.
What is the InChIKey of N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine?
The InChIKey is HKVQKROCWPCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-11-16(17-19-12)18-20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine?
N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine has a molecular weight of 288.42 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)sulfanyl-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 142872045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).