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

C20H20N2O2S — CID 31046939

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H20N2O2S/c1-14-16(22-19(24-14)17-8-5-11-25-17)12-18(23)21-13-20(9-10-20)15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyCVZBEMGLRFCTBL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.10
Rot. Bonds6

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

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 31046939) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID31046939
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H20N2O2S/c1-14-16(22-19(24-14)17-8-5-11-25-17)12-18(23)21-13-20(9-10-20)15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyCVZBEMGLRFCTBL-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 31046939) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is Cc1oc(-c2cccs2)nc1CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is CVZBEMGLRFCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-16(22-19(24-14)17-8-5-11-25-17)12-18(23)21-13-20(9-10-20)15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 31046939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).