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

C15H19N3O3 — CID 71972779

IUPAC1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
SMILESCc1noc(C)c1NC(=O)N(C1CC1)C(C)c1ccco1
InChIInChI=1S/C15H19N3O3/c1-9-14(11(3)21-17-9)16-15(19)18(12-6-7-12)10(2)13-5-4-8-20-13/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19)
InChIKeySYYULDMSDZFTOU-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.64
Rot. Bonds4

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

1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 71972779) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
PubChem CID71972779
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
SMILESCc1noc(C)c1NC(=O)N(C1CC1)C(C)c1ccco1
InChIInChI=1S/C15H19N3O3/c1-9-14(11(3)21-17-9)16-15(19)18(12-6-7-12)10(2)13-5-4-8-20-13/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19)
InChIKeySYYULDMSDZFTOU-UHFFFAOYSA-N
XLogP3.64
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.64
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)-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea (CID 71972779) is 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea is Cc1noc(C)c1NC(=O)N(C1CC1)C(C)c1ccco1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is SYYULDMSDZFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-14(11(3)21-17-9)16-15(19)18(12-6-7-12)10(2)13-5-4-8-20-13/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 289.34 g/mol, XLogP of 3.64, 4 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)-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 71972779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).