2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C16H26N2OS — CID 141063274

IUPAC2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1
InChIInChI=1S/C16H26N2OS/c1-11(2)6-5-7-12(3)18-14(10-16(17)19-18)15-9-8-13(4)20-15/h8-12,14H,5-7,17H2,1-4H3
InChIKeyJBERHNNGZBXNQN-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.36
Rot. Bonds6

About 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063274) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063274
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1
InChIInChI=1S/C16H26N2OS/c1-11(2)6-5-7-12(3)18-14(10-16(17)19-18)15-9-8-13(4)20-15/h8-12,14H,5-7,17H2,1-4H3
InChIKeyJBERHNNGZBXNQN-UHFFFAOYSA-N
XLogP4.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063213
2-[(3,4-difluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063248
3-(5-ethylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063354
3-(5-ethylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063375
2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
3-(3-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063431
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063477
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063506
2-[(3-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154329726
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935
2-[(2-fluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154453593

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063274) is 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2C(C)CCCC(C)C)s1.
What is the InChIKey of 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is JBERHNNGZBXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)6-5-7-12(3)18-14(10-16(17)19-18)15-9-8-13(4)20-15/h8-12,14H,5-7,17H2,1-4H3.
What are the key properties of 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 294.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).