1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea

C18H26N4O2 — CID 119048998

IUPAC1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
SMILESCCN(CC)CCc1ccc(NC(=O)NCc2ncoc2C)cc1
InChIInChI=1S/C18H26N4O2/c1-4-22(5-2)11-10-15-6-8-16(9-7-15)21-18(23)19-12-17-14(3)24-13-20-17/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,21,23)
InChIKeyRFQBVIVPIFNZFE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.19
Rot. Bonds8

About 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea

1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 119048998) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
PubChem CID119048998
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
SMILESCCN(CC)CCc1ccc(NC(=O)NCc2ncoc2C)cc1
InChIInChI=1S/C18H26N4O2/c1-4-22(5-2)11-10-15-6-8-16(9-7-15)21-18(23)19-12-17-14(3)24-13-20-17/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,21,23)
InChIKeyRFQBVIVPIFNZFE-UHFFFAOYSA-N
XLogP3.19
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
CID 119047435
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(4-phenoxyphenyl)methyl]urea
CID 75440545
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[4-[2-(diethylamino)ethyl]phenyl]urea
CID 119048990
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
CID 119048340
ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 119049002
1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
CID 3777161
N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
CID 91324654
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
3-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 106403568

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea (CID 119048998) is 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea is CCN(CC)CCc1ccc(NC(=O)NCc2ncoc2C)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is RFQBVIVPIFNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22(5-2)11-10-15-6-8-16(9-7-15)21-18(23)19-12-17-14(3)24-13-20-17/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,21,23).
What are the key properties of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea?
1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 330.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 119048998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).