1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

C18H21N5O4 — CID 72922302

IUPAC1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)NCCn3c(C)cc(C)nc3=O)ccc21
InChIInChI=1S/C18H21N5O4/c1-4-22-14-6-5-13(10-15(14)27-18(22)26)21-16(24)19-7-8-23-12(3)9-11(2)20-17(23)25/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,21,24)
InChIKeyXCXUBGQHSSKNID-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 72922302) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID72922302
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCn1c(=O)oc2cc(NC(=O)NCCn3c(C)cc(C)nc3=O)ccc21
InChIInChI=1S/C18H21N5O4/c1-4-22-14-6-5-13(10-15(14)27-18(22)26)21-16(24)19-7-8-23-12(3)9-11(2)20-17(23)25/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,21,24)
InChIKeyXCXUBGQHSSKNID-UHFFFAOYSA-N
XLogP1.61
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72881182
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 118779170
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 72922302) is 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is CCn1c(=O)oc2cc(NC(=O)NCCn3c(C)cc(C)nc3=O)ccc21.
What is the InChIKey of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is XCXUBGQHSSKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-4-22-14-6-5-13(10-15(14)27-18(22)26)21-16(24)19-7-8-23-12(3)9-11(2)20-17(23)25/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 371.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 72922302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).