1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea

C12H21N3O2 — CID 110747852

IUPAC1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCC(C)(C)C)co1
InChIInChI=1S/C12H21N3O2/c1-9-15-10(7-17-9)5-6-13-11(16)14-8-12(2,3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,16)
InChIKeyLODWCHCQNQTNGW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.87
Rot. Bonds4

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

1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea (PubChem CID 110747852) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
PubChem CID110747852
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCC(C)(C)C)co1
InChIInChI=1S/C12H21N3O2/c1-9-15-10(7-17-9)5-6-13-11(16)14-8-12(2,3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,16)
InChIKeyLODWCHCQNQTNGW-UHFFFAOYSA-N
XLogP1.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718537
3-methyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110718533
methyl 4-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-4-oxobutanoate
CID 110718536
1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
CID 110747780
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718625
N-[2-[2-(2-methyl-1,3-oxazol-4-yl)ethylamino]-2-oxoethyl]benzamide
CID 110743047
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)propanamide
CID 110679163
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea (CID 110747852) is 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NCC(C)(C)C)co1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea?
The InChIKey is LODWCHCQNQTNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-15-10(7-17-9)5-6-13-11(16)14-8-12(2,3)4/h7H,5-6,8H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea has a molecular weight of 239.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 110747852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).