1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea

C13H21N7O2 — CID 118781465

IUPAC1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCc1noc(CN(C)C(=O)Nc2cn(CCC)nn2)n1
InChIInChI=1S/C13H21N7O2/c1-4-6-10-14-12(22-17-10)9-19(3)13(21)15-11-8-20(7-5-2)18-16-11/h8H,4-7,9H2,1-3H3,(H,15,21)
InChIKeyBHHWUVDXAMNGKV-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.69
Rot. Bonds7

About 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea

1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea (PubChem CID 118781465) has the molecular formula C13H21N7O2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea
PubChem CID118781465
Molecular FormulaC13H21N7O2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCc1noc(CN(C)C(=O)Nc2cn(CCC)nn2)n1
InChIInChI=1S/C13H21N7O2/c1-4-6-10-14-12(22-17-10)9-19(3)13(21)15-11-8-20(7-5-2)18-16-11/h8H,4-7,9H2,1-3H3,(H,15,21)
InChIKeyBHHWUVDXAMNGKV-UHFFFAOYSA-N
XLogP1.69
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72855915
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118788203
1-ethyl-N-methyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 131943602
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 118779355
1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79529452
5-[[4-(1-bromoethyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 81448430
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 124730233
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
5-[[4-(1-chloropropyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 113482931
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The IUPAC name of 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea (CID 118781465) is 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea.
What is the SMILES notation for 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The canonical SMILES for 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea is CCCc1noc(CN(C)C(=O)Nc2cn(CCC)nn2)n1.
What is the InChIKey of 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
The InChIKey is BHHWUVDXAMNGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2/c1-4-6-10-14-12(22-17-10)9-19(3)13(21)15-11-8-20(7-5-2)18-16-11/h8H,4-7,9H2,1-3H3,(H,15,21).
What are the key properties of 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea?
1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea has a molecular weight of 307.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propyltriazol-4-yl)urea is sourced from PubChem (CID 118781465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).