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

C17H21N3O2 — CID 91650124

IUPAC1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1cc(CNC(=O)N(C)CC2(c3ccccc3)CC2)on1
InChIInChI=1S/C17H21N3O2/c1-13-10-15(22-19-13)11-18-16(21)20(2)12-17(8-9-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,21)
InChIKeyCACIHZJRYLAVNE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds5

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

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 91650124) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea
PubChem CID91650124
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1cc(CNC(=O)N(C)CC2(c3ccccc3)CC2)on1
InChIInChI=1S/C17H21N3O2/c1-13-10-15(22-19-13)11-18-16(21)20(2)12-17(8-9-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,21)
InChIKeyCACIHZJRYLAVNE-UHFFFAOYSA-N
XLogP2.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
CID 99788548
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
CID 99827848
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 107438527
1-(4-tert-butylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 49332395
2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 166414654
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea (CID 91650124) is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea is Cc1cc(CNC(=O)N(C)CC2(c3ccccc3)CC2)on1.
What is the InChIKey of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is CACIHZJRYLAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-10-15(22-19-13)11-18-16(21)20(2)12-17(8-9-17)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,21).
What are the key properties of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea?
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 91650124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).