1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea

C19H23N3O3 — CID 125163661

IUPAC1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cnco2)c1)N[C@H]1COC2(CCCCC2)C1
InChIInChI=1S/C19H23N3O3/c23-18(22-16-10-19(25-12-16)7-2-1-3-8-19)21-15-6-4-5-14(9-15)17-11-20-13-24-17/h4-6,9,11,13,16H,1-3,7-8,10,12H2,(H2,21,22,23)/t16-/m1/s1
InChIKeyTVRNMJNOKHSXIY-MRXNPFEDSA-N
MW341.41 g/mol
LogP3.95
Rot. Bonds3

About 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea

1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 125163661) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID125163661
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cnco2)c1)N[C@H]1COC2(CCCCC2)C1
InChIInChI=1S/C19H23N3O3/c23-18(22-16-10-19(25-12-16)7-2-1-3-8-19)21-15-6-4-5-14(9-15)17-11-20-13-24-17/h4-6,9,11,13,16H,1-3,7-8,10,12H2,(H2,21,22,23)/t16-/m1/s1
InChIKeyTVRNMJNOKHSXIY-MRXNPFEDSA-N
XLogP3.95
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea (CID 125163661) is 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea is O=C(Nc1cccc(-c2cnco2)c1)N[C@H]1COC2(CCCCC2)C1.
What is the InChIKey of 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is TVRNMJNOKHSXIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(22-16-10-19(25-12-16)7-2-1-3-8-19)21-15-6-4-5-14(9-15)17-11-20-13-24-17/h4-6,9,11,13,16H,1-3,7-8,10,12H2,(H2,21,22,23)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 341.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 125163661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).