(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide

C13H17N7O4 — CID 163920950

IUPAC(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide
SMILESCc1noc(CNC(=O)N(C)c2ncn([C@@H](C)C(N)=O)c2C=O)n1
InChIInChI=1S/C13H17N7O4/c1-7(11(14)22)20-6-16-12(9(20)5-21)19(3)13(23)15-4-10-17-8(2)18-24-10/h5-7H,4H2,1-3H3,(H2,14,22)(H,15,23)/t7-/m0/s1
InChIKeySNXYGQZWIURAAF-ZETCQYMHSA-N
MW335.32 g/mol
LogP-0.22
Rot. Bonds6

About (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide

(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide (PubChem CID 163920950) has the molecular formula C13H17N7O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide
PubChem CID163920950
Molecular FormulaC13H17N7O4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide
SMILESCc1noc(CNC(=O)N(C)c2ncn([C@@H](C)C(N)=O)c2C=O)n1
InChIInChI=1S/C13H17N7O4/c1-7(11(14)22)20-6-16-12(9(20)5-21)19(3)13(23)15-4-10-17-8(2)18-24-10/h5-7H,4H2,1-3H3,(H2,14,22)(H,15,23)/t7-/m0/s1
InChIKeySNXYGQZWIURAAF-ZETCQYMHSA-N
XLogP-0.22
TPSA149.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-formyl-1-[(2S)-1-oxopropan-2-yl]imidazol-4-yl]-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 146490087
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 78977210
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771268
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 113314102
1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 91649366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide?
The IUPAC name of (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide (CID 163920950) is (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide?
The canonical SMILES for (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide is Cc1noc(CNC(=O)N(C)c2ncn([C@@H](C)C(N)=O)c2C=O)n1.
What is the InChIKey of (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide?
The InChIKey is SNXYGQZWIURAAF-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H17N7O4/c1-7(11(14)22)20-6-16-12(9(20)5-21)19(3)13(23)15-4-10-17-8(2)18-24-10/h5-7H,4H2,1-3H3,(H2,14,22)(H,15,23)/t7-/m0/s1.
What are the key properties of (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide?
(2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide has a molecular weight of 335.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-formyl-4-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]imidazol-1-yl]propanamide is sourced from PubChem (CID 163920950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).