N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide

C17H23FN6O3 — CID 154995051

IUPACN-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide
SMILESCNNC1C=C(N2COc3cc(C(=O)NCC(C)(C)F)[nH]c32)C=CN1C=O
InChIInChI=1S/C17H23FN6O3/c1-17(2,18)8-20-16(26)12-7-13-15(21-12)24(10-27-13)11-4-5-23(9-25)14(6-11)22-19-3/h4-7,9,14,19,21-22H,8,10H2,1-3H3,(H,20,26)
InChIKeyMYCXVMNQJMUNOG-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.57
Rot. Bonds7

About N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide

N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide (PubChem CID 154995051) has the molecular formula C17H23FN6O3 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide
PubChem CID154995051
Molecular FormulaC17H23FN6O3
Molecular Weight378.41 g/mol
Exact Mass378.18
IUPAC NameN-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide
SMILESCNNC1C=C(N2COc3cc(C(=O)NCC(C)(C)F)[nH]c32)C=CN1C=O
InChIInChI=1S/C17H23FN6O3/c1-17(2,18)8-20-16(26)12-7-13-15(21-12)24(10-27-13)11-4-5-23(9-25)14(6-11)22-19-3/h4-7,9,14,19,21-22H,8,10H2,1-3H3,(H,20,26)
InChIKeyMYCXVMNQJMUNOG-UHFFFAOYSA-N
XLogP0.57
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide (CID 154995051) is N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide is CNNC1C=C(N2COc3cc(C(=O)NCC(C)(C)F)[nH]c32)C=CN1C=O.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide?
The InChIKey is MYCXVMNQJMUNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O3/c1-17(2,18)8-20-16(26)12-7-13-15(21-12)24(10-27-13)11-4-5-23(9-25)14(6-11)22-19-3/h4-7,9,14,19,21-22H,8,10H2,1-3H3,(H,20,26).
What are the key properties of N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide?
N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 154995051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).