1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea

C19H20N4O4S — CID 23648777

IUPAC1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(NC(N)=O)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C19H20N4O4S/c1-11(22-18(20)24)16-8-15(23-27-16)17-9-21-19(28-17)26-14-6-4-13(5-7-14)25-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H3,20,22,24)
InChIKeyABNVGRUNCIHPJC-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.11
Rot. Bonds8

About 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea

1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea (PubChem CID 23648777) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea.

Molecular Properties

Compound Name1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
PubChem CID23648777
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(NC(N)=O)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C19H20N4O4S/c1-11(22-18(20)24)16-8-15(23-27-16)17-9-21-19(28-17)26-14-6-4-13(5-7-14)25-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H3,20,22,24)
InChIKeyABNVGRUNCIHPJC-UHFFFAOYSA-N
XLogP4.11
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The IUPAC name of 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea (CID 23648777) is 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea.
What is the SMILES notation for 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The canonical SMILES for 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea is CC(NC(N)=O)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1.
What is the InChIKey of 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
The InChIKey is ABNVGRUNCIHPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-11(22-18(20)24)16-8-15(23-27-16)17-9-21-19(28-17)26-14-6-4-13(5-7-14)25-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H3,20,22,24).
What are the key properties of 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea?
1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea has a molecular weight of 400.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethylurea is sourced from PubChem (CID 23648777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).