5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide

C13H16N2O2S — CID 53195229

IUPAC5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-8(2)13-15-11(9(3)17-13)12(16)14-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyCBDKGSDZFCMZAQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.10
Rot. Bonds4

About 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195229) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID53195229
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-8(2)13-15-11(9(3)17-13)12(16)14-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyCBDKGSDZFCMZAQ-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 82109127
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 53195229) is 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCc1cccs1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CBDKGSDZFCMZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(2)13-15-11(9(3)17-13)12(16)14-7-10-5-4-6-18-10/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).