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

C18H18N2O2S — CID 110666367

IUPACN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1oc(CNC(=O)CCc2cccs2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-18(14-6-3-2-4-7-14)20-17(22-13)12-19-16(21)10-9-15-8-5-11-23-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyNABRSFKCMLMRJC-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds6

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

N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110666367) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110666367
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1oc(CNC(=O)CCc2cccs2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-18(14-6-3-2-4-7-14)20-17(22-13)12-19-16(21)10-9-15-8-5-11-23-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyNABRSFKCMLMRJC-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 84509149
2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666377
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
CID 110666422
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
N-hydroxy-6-(5-methyl-4-phenyl-1,3-oxazol-2-yl)hexanamide
CID 11616233
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylpropanamide
CID 56791234
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823
1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 110666323
3-(dimethylamino)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110666314
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 110730380

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 110666367) is N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide is Cc1oc(CNC(=O)CCc2cccs2)nc1-c1ccccc1.
What is the InChIKey of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is NABRSFKCMLMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-18(14-6-3-2-4-7-14)20-17(22-13)12-19-16(21)10-9-15-8-5-11-23-15/h2-8,11H,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110666367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).