N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

C17H17N5O2S — CID 166261288

IUPACN-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc([C@@H]2CCCN2)n1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H17N5O2S/c1-22(17-21-20-15(25-17)11-6-3-2-4-7-11)16(23)13-10-24-14(19-13)12-8-5-9-18-12/h2-4,6-7,10,12,18H,5,8-9H2,1H3/t12-/m0/s1
InChIKeyTVAIFZMJBHWZKM-LBPRGKRZSA-N
MW355.42 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 166261288) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID166261288
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1coc([C@@H]2CCCN2)n1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H17N5O2S/c1-22(17-21-20-15(25-17)11-6-3-2-4-7-11)16(23)13-10-24-14(19-13)12-8-5-9-18-12/h2-4,6-7,10,12,18H,5,8-9H2,1H3/t12-/m0/s1
InChIKeyTVAIFZMJBHWZKM-LBPRGKRZSA-N
XLogP2.89
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
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N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
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CID 108741998
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (CID 166261288) is N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is CN(C(=O)c1coc([C@@H]2CCCN2)n1)c1nnc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is TVAIFZMJBHWZKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-22(17-21-20-15(25-17)11-6-3-2-4-7-11)16(23)13-10-24-14(19-13)12-8-5-9-18-12/h2-4,6-7,10,12,18H,5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166261288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).