N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

C17H17N5O2S — CID 166336474

IUPACN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1nc(-c2cccnc2)cs1)c1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C17H17N5O2S/c23-16(13-9-24-17(22-13)12-4-2-6-19-12)20-8-15-21-14(10-25-15)11-3-1-5-18-7-11/h1,3,5,7,9-10,12,19H,2,4,6,8H2,(H,20,23)/t12-/m0/s1
InChIKeyIUBQBGXNPLZGRO-LBPRGKRZSA-N
MW355.42 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 166336474) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID166336474
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1nc(-c2cccnc2)cs1)c1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C17H17N5O2S/c23-16(13-9-24-17(22-13)12-4-2-6-19-12)20-8-15-21-14(10-25-15)11-3-1-5-18-7-11/h1,3,5,7,9-10,12,19H,2,4,6,8H2,(H,20,23)/t12-/m0/s1
InChIKeyIUBQBGXNPLZGRO-LBPRGKRZSA-N
XLogP2.55
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (CID 166336474) is N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is O=C(NCc1nc(-c2cccnc2)cs1)c1coc([C@@H]2CCCN2)n1.
What is the InChIKey of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is IUBQBGXNPLZGRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-16(13-9-24-17(22-13)12-4-2-6-19-12)20-8-15-21-14(10-25-15)11-3-1-5-18-7-11/h1,3,5,7,9-10,12,19H,2,4,6,8H2,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166336474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).