3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide

C13H17N3O2S — CID 139007746

IUPAC3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C13H17N3O2S/c1-7(2)10-6-19-11(15-10)5-14-13(17)12-8(3)16-18-9(12)4/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyHYTALBCGJRETQL-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.80
Rot. Bonds4

About 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 139007746) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID139007746
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C13H17N3O2S/c1-7(2)10-6-19-11(15-10)5-14-13(17)12-8(3)16-18-9(12)4/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyHYTALBCGJRETQL-UHFFFAOYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75461199
4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 77092555
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
2-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527072
1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 154739597
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
CID 120829752
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 139007746) is 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1nc(C(C)C)cs1.
What is the InChIKey of 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HYTALBCGJRETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7(2)10-6-19-11(15-10)5-14-13(17)12-8(3)16-18-9(12)4/h6-7H,5H2,1-4H3,(H,14,17).
What are the key properties of 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 139007746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).