1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

C16H21N3O3 — CID 75425417

IUPAC1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCc1noc(C)c1CNC(=O)N(C1CC1)C(C)c1ccco1
InChIInChI=1S/C16H21N3O3/c1-10-14(12(3)22-18-10)9-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyVBSOTFSYNZZXNN-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 75425417) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
PubChem CID75425417
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCc1noc(C)c1CNC(=O)N(C1CC1)C(C)c1ccco1
InChIInChI=1S/C16H21N3O3/c1-10-14(12(3)22-18-10)9-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyVBSOTFSYNZZXNN-UHFFFAOYSA-N
XLogP3.32
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea (CID 75425417) is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is Cc1noc(C)c1CNC(=O)N(C1CC1)C(C)c1ccco1.
What is the InChIKey of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is VBSOTFSYNZZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-14(12(3)22-18-10)9-17-16(20)19(13-6-7-13)11(2)15-5-4-8-21-15/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,17,20).
What are the key properties of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 303.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 75425417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).