2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide

C11H19N3O2S — CID 106924972

IUPAC2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
SMILESCCCNC(C)(CCSc1ncco1)C(N)=O
InChIInChI=1S/C11H19N3O2S/c1-3-5-14-11(2,9(12)15)4-8-17-10-13-6-7-16-10/h6-7,14H,3-5,8H2,1-2H3,(H2,12,15)
InChIKeySCTNVLMEWXBQLX-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.40
Rot. Bonds8

About 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide

2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide (PubChem CID 106924972) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
PubChem CID106924972
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
SMILESCCCNC(C)(CCSc1ncco1)C(N)=O
InChIInChI=1S/C11H19N3O2S/c1-3-5-14-11(2,9(12)15)4-8-17-10-13-6-7-16-10/h6-7,14H,3-5,8H2,1-2H3,(H2,12,15)
InChIKeySCTNVLMEWXBQLX-UHFFFAOYSA-N
XLogP1.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanenitrile
CID 106924698
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide
CID 62267517
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
CID 106925151
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile
CID 106924664
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106924974
ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 106924910
2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
CID 106926213
ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
CID 106924832
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 63464606
ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide?
The IUPAC name of 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide (CID 106924972) is 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide.
What is the SMILES notation for 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide?
The canonical SMILES for 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide is CCCNC(C)(CCSc1ncco1)C(N)=O.
What is the InChIKey of 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide?
The InChIKey is SCTNVLMEWXBQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-5-14-11(2,9(12)15)4-8-17-10-13-6-7-16-10/h6-7,14H,3-5,8H2,1-2H3,(H2,12,15).
What are the key properties of 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide?
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide has a molecular weight of 257.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide is sourced from PubChem (CID 106924972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).