1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

C14H23N7O2 — CID 125443792

IUPAC1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ncnn2C)o1
InChIInChI=1S/C14H23N7O2/c1-9(2)6-11(13-15-8-16-21(13)5)17-14(22)20(4)7-12-19-18-10(3)23-12/h8-9,11H,6-7H2,1-5H3,(H,17,22)/t11-/m0/s1
InChIKeyPYZWJVJWKZZTGN-NSHDSACASA-N
MW321.39 g/mol
LogP1.44
Rot. Bonds6

About 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea

1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 125443792) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID125443792
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ncnn2C)o1
InChIInChI=1S/C14H23N7O2/c1-9(2)6-11(13-15-8-16-21(13)5)17-14(22)20(4)7-12-19-18-10(3)23-12/h8-9,11H,6-7H2,1-5H3,(H,17,22)/t11-/m0/s1
InChIKeyPYZWJVJWKZZTGN-NSHDSACASA-N
XLogP1.44
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]urea
CID 122563075
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
1,6-dimethyl-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-oxopyridine-2-carboxamide
CID 126446161
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
CID 125437324
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N'-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-N-(2-methylphenyl)propanediamide
CID 50972141
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 125443792) is 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ncnn2C)o1.
What is the InChIKey of 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is PYZWJVJWKZZTGN-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N7O2/c1-9(2)6-11(13-15-8-16-21(13)5)17-14(22)20(4)7-12-19-18-10(3)23-12/h8-9,11H,6-7H2,1-5H3,(H,17,22)/t11-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 321.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 125443792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).