1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea

C15H15F2N5O2 — CID 71915797

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)N(C)Cc3nccn3C(F)F)ccc2o1
InChIInChI=1S/C15H15F2N5O2/c1-9-19-11-7-10(3-4-12(11)24-9)20-15(23)21(2)8-13-18-5-6-22(13)14(16)17/h3-7,14H,8H2,1-2H3,(H,20,23)
InChIKeyGYJIHXPIENRYFD-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.39
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea (PubChem CID 71915797) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea
PubChem CID71915797
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)N(C)Cc3nccn3C(F)F)ccc2o1
InChIInChI=1S/C15H15F2N5O2/c1-9-19-11-7-10(3-4-12(11)24-9)20-15(23)21(2)8-13-18-5-6-22(13)14(16)17/h3-7,14H,8H2,1-2H3,(H,20,23)
InChIKeyGYJIHXPIENRYFD-UHFFFAOYSA-N
XLogP3.39
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
CID 126146253
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
N-[3-[[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]amino]methyl]phenyl]-2-methylbutanamide
CID 87008104
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
CID 47051874
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
CID 893610
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea (CID 71915797) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea is Cc1nc2cc(NC(=O)N(C)Cc3nccn3C(F)F)ccc2o1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is GYJIHXPIENRYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c1-9-19-11-7-10(3-4-12(11)24-9)20-15(23)21(2)8-13-18-5-6-22(13)14(16)17/h3-7,14H,8H2,1-2H3,(H,20,23).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 335.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 71915797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).