1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C15H20N4O2 — CID 18101864

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(c2ccccc2)N(C)C)no1
InChIInChI=1S/C15H20N4O2/c1-11-9-14(18-21-11)17-15(20)16-10-13(19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H2,16,17,18,20)
InChIKeyAQEJKHQMJROZSM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 18101864) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID18101864
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(c2ccccc2)N(C)C)no1
InChIInChI=1S/C15H20N4O2/c1-11-9-14(18-21-11)17-15(20)16-10-13(19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H2,16,17,18,20)
InChIKeyAQEJKHQMJROZSM-UHFFFAOYSA-N
XLogP2.41
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38282989
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121023288
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
2-[(2-amino-2-oxoethyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 56814559
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107744
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 110491991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 18101864) is 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCC(c2ccccc2)N(C)C)no1.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is AQEJKHQMJROZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-14(18-21-11)17-15(20)16-10-13(19(2)3)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 18101864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).