N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C16H17N3OS — CID 75502429

IUPACN-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1oc(-c2cccs2)nc1CNC(C)c1ccncc1
InChIInChI=1S/C16H17N3OS/c1-11(13-5-7-17-8-6-13)18-10-14-12(2)20-16(19-14)15-4-3-9-21-15/h3-9,11,18H,10H2,1-2H3
InChIKeyMKKHXAQAKDKJCV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.96
Rot. Bonds5

About N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine

N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 75502429) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID75502429
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1oc(-c2cccs2)nc1CNC(C)c1ccncc1
InChIInChI=1S/C16H17N3OS/c1-11(13-5-7-17-8-6-13)18-10-14-12(2)20-16(19-14)15-4-3-9-21-15/h3-9,11,18H,10H2,1-2H3
InChIKeyMKKHXAQAKDKJCV-UHFFFAOYSA-N
XLogP3.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 75502429) is N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine is Cc1oc(-c2cccs2)nc1CNC(C)c1ccncc1.
What is the InChIKey of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is MKKHXAQAKDKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(13-5-7-17-8-6-13)18-10-14-12(2)20-16(19-14)15-4-3-9-21-15/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 75502429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).