(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H17N5O4S — CID 112507157

IUPAC(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)n[nH]c2C)no1
InChIInChI=1S/C12H17N5O4S/c1-6-5-10(16-21-6)13-12(18)9(4)17-22(19,20)11-7(2)14-15-8(11)3/h5,9,17H,1-4H3,(H,14,15)(H,13,16,18)/t9-/m0/s1
InChIKeyWKDLOQLQCSMVJR-VIFPVBQESA-N
MW327.37 g/mol
LogP0.63
Rot. Bonds5

About (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 112507157) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID112507157
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)n[nH]c2C)no1
InChIInChI=1S/C12H17N5O4S/c1-6-5-10(16-21-6)13-12(18)9(4)17-22(19,20)11-7(2)14-15-8(11)3/h5,9,17H,1-4H3,(H,14,15)(H,13,16,18)/t9-/m0/s1
InChIKeyWKDLOQLQCSMVJR-VIFPVBQESA-N
XLogP0.63
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
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(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
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(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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CID 43091250
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
CID 95264542
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
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(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]propanamide
CID 21004888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 112507157) is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)n[nH]c2C)no1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is WKDLOQLQCSMVJR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O4S/c1-6-5-10(16-21-6)13-12(18)9(4)17-22(19,20)11-7(2)14-15-8(11)3/h5,9,17H,1-4H3,(H,14,15)(H,13,16,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 327.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 112507157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).