5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

C17H18N4O2S — CID 97085557

IUPAC5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H18N4O2S/c1-10(2)15-14(19-9-23-15)16(22)20-11(3)17-21-13(8-24-17)12-4-6-18-7-5-12/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyLWAFZEZXEZNJNS-NSHDSACASA-N
MW342.42 g/mol
LogP3.81
Rot. Bonds5

About 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 97085557) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID97085557
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H18N4O2S/c1-10(2)15-14(19-9-23-15)16(22)20-11(3)17-21-13(8-24-17)12-4-6-18-7-5-12/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyLWAFZEZXEZNJNS-NSHDSACASA-N
XLogP3.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 97085557) is 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LWAFZEZXEZNJNS-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(2)15-14(19-9-23-15)16(22)20-11(3)17-21-13(8-24-17)12-4-6-18-7-5-12/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(1S)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97085557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).