1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

C14H24N4O4S — CID 75457792

IUPAC1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)Nc1c(C)noc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O4S/c1-4-18(23(3,20)21)9-5-8-15-14(19)16-12-10(2)17-22-13(12)11-6-7-11/h11H,4-9H2,1-3H3,(H2,15,16,19)
InChIKeySIAZGYUMKSKZLH-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.65
Rot. Bonds8

About 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (PubChem CID 75457792) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
PubChem CID75457792
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)Nc1c(C)noc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O4S/c1-4-18(23(3,20)21)9-5-8-15-14(19)16-12-10(2)17-22-13(12)11-6-7-11/h11H,4-9H2,1-3H3,(H2,15,16,19)
InChIKeySIAZGYUMKSKZLH-UHFFFAOYSA-N
XLogP1.65
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (CID 75457792) is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is CCN(CCCNC(=O)Nc1c(C)noc1C1CC1)S(C)(=O)=O.
What is the InChIKey of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The InChIKey is SIAZGYUMKSKZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-4-18(23(3,20)21)9-5-8-15-14(19)16-12-10(2)17-22-13(12)11-6-7-11/h11H,4-9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea has a molecular weight of 344.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is sourced from PubChem (CID 75457792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).