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

C14H18N4O2 — CID 61339817

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N4O2/c1-9-8-13(18-20-9)17-14(19)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H2,16,17,18,19)
InChIKeyZDVHVTXHZBELHZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds4

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

1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 61339817) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID61339817
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H18N4O2/c1-9-8-13(18-20-9)17-14(19)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H2,16,17,18,19)
InChIKeyZDVHVTXHZBELHZ-UHFFFAOYSA-N
XLogP2.91
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157732
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 62056596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 61339817) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is CNC(C)c1ccc(NC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is ZDVHVTXHZBELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-8-13(18-20-9)17-14(19)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 61339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).