N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide

C18H20F2N4O3 — CID 42949411

IUPACN-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H20F2N4O3/c1-23(11-15-21-7-8-24(15)18(19)20)17(26)12-4-2-5-13(10-12)22-16(25)14-6-3-9-27-14/h2,4-5,7-8,10,14,18H,3,6,9,11H2,1H3,(H,22,25)
InChIKeyKUHVISCMGFIEKX-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.67
Rot. Bonds6

About N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42949411) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42949411
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC NameN-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H20F2N4O3/c1-23(11-15-21-7-8-24(15)18(19)20)17(26)12-4-2-5-13(10-12)22-16(25)14-6-3-9-27-14/h2,4-5,7-8,10,14,18H,3,6,9,11H2,1H3,(H,22,25)
InChIKeyKUHVISCMGFIEKX-UHFFFAOYSA-N
XLogP2.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 42890216
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 75463883
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32800330
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 135925798

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 42949411) is N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide is CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KUHVISCMGFIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-23(11-15-21-7-8-24(15)18(19)20)17(26)12-4-2-5-13(10-12)22-16(25)14-6-3-9-27-14/h2,4-5,7-8,10,14,18H,3,6,9,11H2,1H3,(H,22,25).
What are the key properties of N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42949411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).