5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide

C16H17N5O3S — CID 97121804

IUPAC5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nc(-c2ccncc2)ncc1[C@@H](C)NS(=O)(=O)c1cnoc1C
InChIInChI=1S/C16H17N5O3S/c1-10-14(8-18-16(20-10)13-4-6-17-7-5-13)11(2)21-25(22,23)15-9-19-24-12(15)3/h4-9,11,21H,1-3H3/t11-/m1/s1
InChIKeyFAMHEPYIPLDVLR-LLVKDONJSA-N
MW359.41 g/mol
LogP2.18
Rot. Bonds5

About 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide

5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 97121804) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID97121804
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1nc(-c2ccncc2)ncc1[C@@H](C)NS(=O)(=O)c1cnoc1C
InChIInChI=1S/C16H17N5O3S/c1-10-14(8-18-16(20-10)13-4-6-17-7-5-13)11(2)21-25(22,23)15-9-19-24-12(15)3/h4-9,11,21H,1-3H3/t11-/m1/s1
InChIKeyFAMHEPYIPLDVLR-LLVKDONJSA-N
XLogP2.18
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 72863472
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N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
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N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
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N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 26398298
(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 29153348
methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
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2-N,2-N,6-trimethyl-4-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrimidine-2,4-diamine
CID 70783075
5-cyclopropyl-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42453677
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 97121804) is 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1nc(-c2ccncc2)ncc1[C@@H](C)NS(=O)(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is FAMHEPYIPLDVLR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-14(8-18-16(20-10)13-4-6-17-7-5-13)11(2)21-25(22,23)15-9-19-24-12(15)3/h4-9,11,21H,1-3H3/t11-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 97121804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).