(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide

C14H25N3O4S — CID 94150545

IUPAC(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C14H25N3O4S/c1-9(2)7-13(16-22(6,19)20)14(18)17(5)8-12-10(3)15-21-11(12)4/h9,13,16H,7-8H2,1-6H3/t13-/m0/s1
InChIKeyUZIOYANOSJZYRA-ZDUSSCGKSA-N
MW331.44 g/mol
LogP1.21
Rot. Bonds7

About (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide

(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide (PubChem CID 94150545) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
PubChem CID94150545
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C14H25N3O4S/c1-9(2)7-13(16-22(6,19)20)14(18)17(5)8-12-10(3)15-21-11(12)4/h9,13,16H,7-8H2,1-6H3/t13-/m0/s1
InChIKeyUZIOYANOSJZYRA-ZDUSSCGKSA-N
XLogP1.21
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 75461028
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 43750713
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide?
The IUPAC name of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide (CID 94150545) is (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide is Cc1noc(C)c1CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O.
What is the InChIKey of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide?
The InChIKey is UZIOYANOSJZYRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-9(2)7-13(16-22(6,19)20)14(18)17(5)8-12-10(3)15-21-11(12)4/h9,13,16H,7-8H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide?
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide is sourced from PubChem (CID 94150545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).