N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide

C17H25N5O5S — CID 56534129

IUPACN-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)CSC(C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H25N5O5S/c1-10-7-13(21-27-10)20-16(25)11(2)28-9-14(23)19-8-15(24)22-6-4-5-12(22)17(26)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,18,26)(H,19,23)(H,20,21,25)
InChIKeyLDRVYGMRFUNKAH-UHFFFAOYSA-N
MW411.48 g/mol
LogP-0.10
Rot. Bonds8

About N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide

N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 56534129) has the molecular formula C17H25N5O5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID56534129
Molecular FormulaC17H25N5O5S
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC NameN-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)CSC(C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H25N5O5S/c1-10-7-13(21-27-10)20-16(25)11(2)28-9-14(23)19-8-15(24)22-6-4-5-12(22)17(26)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,18,26)(H,19,23)(H,20,21,25)
InChIKeyLDRVYGMRFUNKAH-UHFFFAOYSA-N
XLogP-0.10
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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CID 40714205
2-[2-[3-(methylamino)propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119434077
(2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 31468642
2-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119509355
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]sulfanylpropanamide
CID 119559318
1-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 119349491
2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119478913
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
(2R)-2-[2-(2,2-dimethylpyrrolidin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95145534
2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide (CID 56534129) is N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)CSC(C)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is LDRVYGMRFUNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5S/c1-10-7-13(21-27-10)20-16(25)11(2)28-9-14(23)19-8-15(24)22-6-4-5-12(22)17(26)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,18,26)(H,19,23)(H,20,21,25).
What are the key properties of N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide?
N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56534129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).