N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide

C18H19F2N5O4 — CID 23987636

IUPACN-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)C2C(=O)NCCN)no1
InChIInChI=1S/C18H19F2N5O4/c1-10-6-14(23-29-10)18(28)25-5-4-24(16(25)15(26)22-3-2-21)17(27)11-7-12(19)9-13(20)8-11/h6-9,16H,2-5,21H2,1H3,(H,22,26)
InChIKeyLKFREHWXNNISQD-UHFFFAOYSA-N
MW407.38 g/mol
LogP0.26
Rot. Bonds5

About N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide

N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide (PubChem CID 23987636) has the molecular formula C18H19F2N5O4 and a molecular weight of 407.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
PubChem CID23987636
Molecular FormulaC18H19F2N5O4
Molecular Weight407.38 g/mol
Exact Mass407.14
IUPAC NameN-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)C2C(=O)NCCN)no1
InChIInChI=1S/C18H19F2N5O4/c1-10-6-14(23-29-10)18(28)25-5-4-24(16(25)15(26)22-3-2-21)17(27)11-7-12(19)9-13(20)8-11/h6-9,16H,2-5,21H2,1H3,(H,22,26)
InChIKeyLKFREHWXNNISQD-UHFFFAOYSA-N
XLogP0.26
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(3,4-dimethoxybenzoyl)imidazolidine-2-carboxamide
CID 23737103
N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-(3,5-difluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23904922
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23738515
N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
CID 23800292
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,5-difluorobenzoyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]imidazolidine-2-carboxamide
CID 23959792
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,5-difluorobenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carboxamide
CID 23963930

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide (CID 23987636) is N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)C2C(=O)NCCN)no1.
What is the InChIKey of N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide?
The InChIKey is LKFREHWXNNISQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O4/c1-10-6-14(23-29-10)18(28)25-5-4-24(16(25)15(26)22-3-2-21)17(27)11-7-12(19)9-13(20)8-11/h6-9,16H,2-5,21H2,1H3,(H,22,26).
What are the key properties of N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23987636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).