N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide

C15H21N3O2S — CID 136545868

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncsc1C(=O)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H21N3O2S/c1-9(2)12-13(21-8-18-12)14(19)17-7-11-16-6-10(20-11)15(3,4)5/h6,8-9H,7H2,1-5H3,(H,17,19)
InChIKeyUXRBHKUEFIGDSE-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.48
Rot. Bonds4

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 136545868) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID136545868
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncsc1C(=O)NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H21N3O2S/c1-9(2)12-13(21-8-18-12)14(19)17-7-11-16-6-10(20-11)15(3,4)5/h6,8-9H,7H2,1-5H3,(H,17,19)
InChIKeyUXRBHKUEFIGDSE-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 136545868) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)c1ncsc1C(=O)NCc1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UXRBHKUEFIGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9(2)12-13(21-8-18-12)14(19)17-7-11-16-6-10(20-11)15(3,4)5/h6,8-9H,7H2,1-5H3,(H,17,19).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136545868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).