1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea

C15H16N4O3S — CID 138054349

IUPAC1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NCCc2cccc3oc(C)nc23)s1
InChIInChI=1S/C15H16N4O3S/c1-9-18-13-10(4-3-5-11(13)22-9)6-7-16-14(20)19-15-17-8-12(21-2)23-15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyOPJKTCGZXVZEHF-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.97
Rot. Bonds5

About 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea

1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea (PubChem CID 138054349) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea
PubChem CID138054349
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NCCc2cccc3oc(C)nc23)s1
InChIInChI=1S/C15H16N4O3S/c1-9-18-13-10(4-3-5-11(13)22-9)6-7-16-14(20)19-15-17-8-12(21-2)23-15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyOPJKTCGZXVZEHF-UHFFFAOYSA-N
XLogP2.97
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea (CID 138054349) is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea is COc1cnc(NC(=O)NCCc2cccc3oc(C)nc23)s1.
What is the InChIKey of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea?
The InChIKey is OPJKTCGZXVZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-18-13-10(4-3-5-11(13)22-9)6-7-16-14(20)19-15-17-8-12(21-2)23-15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea?
1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea has a molecular weight of 332.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(2-methyl-1,3-benzoxazol-4-yl)ethyl]urea is sourced from PubChem (CID 138054349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).