1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

C16H21N3O3 — CID 75378358

IUPAC1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)on1
InChIInChI=1S/C16H21N3O3/c1-3-12-9-14(22-18-12)10-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3,(H,17,20)
InChIKeyYJVYSQCPMDGIPT-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.27
Rot. Bonds6

About 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 75378358) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
PubChem CID75378358
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)on1
InChIInChI=1S/C16H21N3O3/c1-3-12-9-14(22-18-12)10-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3,(H,17,20)
InChIKeyYJVYSQCPMDGIPT-UHFFFAOYSA-N
XLogP3.27
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (CID 75378358) is 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is CCc1cc(CNC(=O)N(C2CC2)C(C)c2ccco2)on1.
What is the InChIKey of 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is YJVYSQCPMDGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-12-9-14(22-18-12)10-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3,(H,17,20).
What are the key properties of 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 303.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 75378358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).