1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea

C18H21N5O4 — CID 74240670

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea
SMILESCCc1nnc(-c2ccc(OC)c(NC(=O)NCc3c(C)noc3C)c2)o1
InChIInChI=1S/C18H21N5O4/c1-5-16-21-22-17(26-16)12-6-7-15(25-4)14(8-12)20-18(24)19-9-13-10(2)23-27-11(13)3/h6-8H,5,9H2,1-4H3,(H2,19,20,24)
InChIKeyVOPTXRINVUIGSC-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.23
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea (PubChem CID 74240670) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea
PubChem CID74240670
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea
SMILESCCc1nnc(-c2ccc(OC)c(NC(=O)NCc3c(C)noc3C)c2)o1
InChIInChI=1S/C18H21N5O4/c1-5-16-21-22-17(26-16)12-6-7-15(25-4)14(8-12)20-18(24)19-9-13-10(2)23-27-11(13)3/h6-8H,5,9H2,1-4H3,(H2,19,20,24)
InChIKeyVOPTXRINVUIGSC-UHFFFAOYSA-N
XLogP3.23
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131947019
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850580
(3aR,7aS)-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 74250727
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 52793572
1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118776570
1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 72919615
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
1-[2-chloro-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 75456057
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308322

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea (CID 74240670) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea is CCc1nnc(-c2ccc(OC)c(NC(=O)NCc3c(C)noc3C)c2)o1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea?
The InChIKey is VOPTXRINVUIGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-5-16-21-22-17(26-16)12-6-7-15(25-4)14(8-12)20-18(24)19-9-13-10(2)23-27-11(13)3/h6-8H,5,9H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea has a molecular weight of 371.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea is sourced from PubChem (CID 74240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).