5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C17H22F3N5O3 — CID 134381920

IUPAC5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCc1cc(CCCCN(C)C(=O)c2c(N(C)C=O)ncn2CC(F)(F)F)on1
InChIInChI=1S/C17H22F3N5O3/c1-12-8-13(28-22-12)6-4-5-7-23(2)16(27)14-15(24(3)11-26)21-10-25(14)9-17(18,19)20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyHWQRJUGDUGIVNU-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.43
Rot. Bonds9

About 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 134381920) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID134381920
Molecular FormulaC17H22F3N5O3
Molecular Weight401.39 g/mol
Exact Mass401.17
IUPAC Name5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCc1cc(CCCCN(C)C(=O)c2c(N(C)C=O)ncn2CC(F)(F)F)on1
InChIInChI=1S/C17H22F3N5O3/c1-12-8-13(28-22-12)6-4-5-7-23(2)16(27)14-15(24(3)11-26)21-10-25(14)9-17(18,19)20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyHWQRJUGDUGIVNU-UHFFFAOYSA-N
XLogP2.43
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide
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CID 134381884
4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 134381873
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 90651141
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CID 57223532
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
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CID 90537585
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 91790665
2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 48733614
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
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CID 119099354

Frequently Asked Questions

What is the IUPAC name of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 134381920) is 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is Cc1cc(CCCCN(C)C(=O)c2c(N(C)C=O)ncn2CC(F)(F)F)on1.
What is the InChIKey of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is HWQRJUGDUGIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O3/c1-12-8-13(28-22-12)6-4-5-7-23(2)16(27)14-15(24(3)11-26)21-10-25(14)9-17(18,19)20/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 2.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 134381920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).