N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine

C16H16N2OS — CID 103096799

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2ccc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS/c1-12-9-18-16(19-12)11-17-10-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyCDAFXDJWHJZBFM-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine (PubChem CID 103096799) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine
PubChem CID103096799
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2ccc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS/c1-12-9-18-16(19-12)11-17-10-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3
InChIKeyCDAFXDJWHJZBFM-UHFFFAOYSA-N
XLogP4.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine (CID 103096799) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine is Cc1cnc(CNCc2ccc(-c3ccccc3)s2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine?
The InChIKey is CDAFXDJWHJZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-9-18-16(19-12)11-17-10-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine has a molecular weight of 284.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenylthiophen-2-yl)methanamine is sourced from PubChem (CID 103096799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).